Antihypertensive compounds [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
nitroglycerin 55-63-0 C3H5N3O9 227.09
1.62
amiloride hydrochloride 2016-88-8 C6H9Cl2N7O 266.09
-0.42
linsidomine 33876-97-0 C6H10N4O2 170.17
0.50
allicin 539-86-6 C6H10OS2 162.27
1.61
linsidomine hydrochloride 16142-27-1 C6H11ClN4O2 206.63
0.31
chlorothiazide 58-94-6 C7H6ClN3O4S2 295.72
-0.24
hydrochlorthiazide; hydrochlorothiazide 58-93-5 C7H8ClN3O4S2 297.73
-0.07
guancidine 1113-10-6 C7H15N5 169.23
-0.76
diazoxide 364-98-7 C8H7ClN2O2S 230.67
0.92
guanabenz 5051-62-7 C8H8Cl2N4 231.09
3.33
trichlormethiazide 133-67-5 C8H8Cl3N3O4S2 380.66
0.04
hydralazine 86-54-4 C8H8N4 160.18
0.80
tiamenidine 31428-61-2 C8H10ClN3S 215.71
3.40
dihydralazine 484-23-1 C8H10N6 190.21
0.94
pildralazine 64000-73-3 C8H15N5O 197.24
0.34
oxdralazine 17259-75-5 C8H15N5O2 213.24
0.35
clonidine 4205-90-7 C9H9Cl2N3 230.10
3.47
guanfacine 29110-47-2 C9H9Cl2N3O 246.10
3.46
guanfacine hydrochloride 29110-48-3 C9H10Cl3N3O 282.56
1.26
olmidine 22693-65-8 C9H10N2O3 194.19
1.31
tiamizide 3688-85-5 C9H11ClN2O3S 262.71
0.03
guanoclor; guanochlor 5001-32-1 C9H12Cl2N4O 263.13
1.62
captopril 62571-86-2 C9H15NO3S 217.28
0.34
azepexole 36067-73-9 C9H15N3O 181.24
1.07
epithiazide; epitizide 1764-85-8 C10H11ClF3N3O4S3 425.85
-0.10
flutonidine 28125-87-3 C10H12FN3 193.22
2.70
tolazoline 59-98-3 C10H12N2 160.22
2.40
metirosine 672-87-7 C10H13NO3 195.22
-1.98
alpha-methyldopa 555-30-6 C10H13NO4 211.22
-2.74
guabenxan 19889-45-3 C10H13N3O2 207.23
2.58
guanoxan 2165-19-7 C10H13N3O2 207.23
2.61
bupicomide 22632-06-0 C10H14N2O 178.23
-0.33
tolmesoxide 38452-29-8 C10H14O3S 214.28
0.55
betanidine 55-73-2 C10H15N3 177.25
3.46
guanadrel 40580-59-4 C10H19N3O2 213.28
-2.96
mebutamate 64-55-1 C10H20N2O4 232.28
0.70
pempidine; 1,2,2,6,6-pentamethylpiperidine 79-55-0 C10H21N 155.28
1.70
guanethidine 55-65-2 C10H22N4 198.31
-2.52
guanethidine sulfate 645-43-2 C10H24N4O4S 296.39
-3.74
brimonidine 59803-98-4 C11H10BrN5 292.14
1.59
flosequinan; flosenquinan 76568-02-0 C11H10FNO2S 239.26
1.52
scoparone; 6,7-dimethoxycoumarin 120-08-1 C11H10O4 206.20
2.04
muzolimine 55294-15-0 C11H11Cl2N3O 272.13
2.09
pargyline 555-57-7 C11H13N 159.23
2.53
altizide 5588-16-9 C11H14ClN3O4S3 383.89
-0.10
buthiazide; butizide 2043-38-1 C11H16ClN3O4S2 353.85
-0.07
mecamylamine 60-40-2 C11H21N 167.30
2.74
pazoxide 21132-59-2 C12H10Cl2N2O2S 317.19
1.37
furosemide 54-31-9 C12H11ClN2O5S 330.74
2.03
motapizone 90697-57-7 C12H12N4OS 260.32
1.97
carprazidil 68020-77-9 C12H13N5O4 291.27
-0.02
acetryptine 3551-18-6 C12H14N2O 202.26
1.68
cadralazine 64241-34-5 C12H21N5O3 283.33
0.61
ticrynafen; tienilic acid 40180-04-9 C13H8Cl2O4S 331.17
2.47
zolertine 4004-94-8 C13H18N6 258.33
0.12
cloranolol 39563-28-5 C13H19Cl2NO2 292.21
2.80
etozolin 73-09-6 C13H20N2O3S 284.38
3.26
endralazine 39715-02-1 C13H20N4O 248.33
2.04
ciclosidomine 66564-16-7 C13H20N4O3 280.33
1.42
valacyclovir hydrochloride 124832-27-5 C13H21ClN6O4 360.80
2.74
moprolol 5741-22-0 C13H21NO3 239.31
1.88
timolol 26839-75-8 C13H24N4O3S 316.42
1.83
cicletanine 89943-82-8 C14H12ClNO2 261.71
2.46
bendazol 621-72-7 C14H12N2 208.26
1.59
cyclothiazide 2259-96-3 C14H16ClN3O4S2 389.88
-0.09
piperoxan 59-39-2 C14H19NO2 233.31
2.08
chlorisondamine chloride 69-27-2 C14H20Cl6N2 429.05
0.12
benzthiazide 91-33-8 C15H14ClN3O4S3 431.94
-0.22
budralazine 36798-79-5 C15H18N4 254.34
1.27
indenolol 60607-68-3 C15H21NO2 247.34
3.09
nipradilol 81486-22-8 C15H22N2O6 326.35
1.88
fenoldopam 67227-56-9 C16H18ClNO3 307.78
3.91
levcromakalim 94535-50-9 C16H18N2O3 286.33
1.60
tripamide 73803-48-2 C16H20ClN3O3S 369.87
0.71
glyoctamide 1038-59-1 C16H24N2O3S 324.44
2.49
bimakalim 117545-11-6 C17H14N2O2 278.31
1.41
nifedipine 21829-25-4 C17H18N2O6 346.34
2.20
ofornine 87784-12-1 C17H19N3O 281.36
3.45
primidolol 67227-55-8 C17H23N3O4 333.39
0.02
indacrinone 57296-63-6 C18H14Cl2O4 365.21
3.08
felodipine 86189-69-7 C18H19Cl2NO4 384.26
2.20
riodipine 71653-63-9 C18H19F2NO5 367.35
2.20
nitrendipine 39562-70-4 C18H20N2O6 360.37
2.20
tiodazosin 66969-81-1 C18H21N7O4S 431.47
1.39
enalaprilat 76420-72-9 C18H24N2O5 348.40
-0.58
nilvadipine 75530-68-6 C19H19N3O6 385.38
2.20
darodipine 72803-02-2 C19H21N3O5 371.39
2.20
isradipine 75695-93-1 C19H21N3O5 418.45
2.20
cianergoline 74627-35-3 C19H22N4O 322.41
2.91
bufeniode 22103-14-6 C19H23I2NO2 551.21
3.45
moveltipril 85856-54-8 C19H30N2O5S 398.52
-0.68
trimethidinium methosulfate 7009-82-7 C19H42N2O6S2 458.68
3.50
(+)-sesamin 607-80-7 C20H18O6 354.36
4.06
leniquinsin 10351-50-5 C20H20N2O4 352.39
2.95
epanolol 86880-51-5 C20H23N3O4 369.42
1.60
medroxalol 56290-94-9 C20H24N2O5 372.42
3.09
nisoldipine 63675-72-9 C20H24N2O6 388.42
2.20
amlodipine 88150-42-9 C20H25ClN2O5 408.88
2.20
sulfinalol 66264-77-5 C20H27NO4S 377.50
1.07
enalapril 75847-73-3 C20H28N2O5 376.45
-0.63
urapidil 34661-75-1 C20H29N5O3 387.48
1.11
trimazosin 35795-16-5 C20H29N5O6 435.48
1.68
celiptolol; celiprolol 56980-93-9 C20H33N3O4 379.50
1.92
vinigrol 111025-83-3 C20H34O3 322.49
3.12
flavodilol 79619-31-1 C21H23NO4 353.42
4.09
ecadotril 112573-73-6 C21H23NO4S 385.48
2.88
pelanserin 2208-51-7 C21H24N4O2 364.45
2.70
mecarbinate 15574-49-9 C21H25N5O2 379.46
3.75
vincamine 1617-90-9 C21H26N2O3 354.45
2.41
nimodipine 66085-59-4 C21H26N2O7 418.45
2.20
ceronapril 111223-26-8 C21H33N2O7P 456.48
1.22
zofenopril 81872-10-8 C22H23NO4S2 429.56
2.79
trimethaphan [chloride] 7187-66-8 C22H25ClN2OS 400.97
3.28
diltiazem hydrochloride 33286-22-5 C22H27ClN2O4S 450.99
2.70
ilepatril 473289-62-2 C22H28N2O5S 432.54
1.32
saphenamycin 83198-27-0 C23H18N2O5 402.41
4.31
tasosartan 145733-36-4 C23H21N7O 411.47
1.87
eprosartan 133040-01-4 C23H24N2O4S 424.52
2.10
fasidotril 135038-57-2 C23H25NO6S 443.52
3.09
doxazosin 74191-85-8 C23H25N5O5 451.48
0.94
pacrinolol 65655-59-6 C23H28N2O4 396.49
3.12
forasartan 145216-43-9 C23H28N8 416.53
2.68
fosinoprilat 95399-71-6 C23H34NO5P 435.50
5.21
tinabinol 50708-95-7 C23H34O2S 374.59
5.93
pentolonium tartrate 52-62-0 C23H42N2O12 538.59
0.41
candesartan 139481-59-7 C24H20N6O3 440.46
4.33
carmoxirole 98323-83-2 C24H26N2O2 374.48
2.73
naftopidil 57149-07-2 C24H28N2O3 392.50
4.56
benazepril 86541-75-5 C24H28N2O5 424.50
3.31
doxazosin mesylate 77883-43-3 C24H29N5O8S 547.59
0.98
enalapril maleate 76095-16-4 C24H32N2O9 492.52
1.64
spironolactone 52-01-7 C24H32O4S 416.58
2.33
atiprosin 89303-63-9 C24H33N3O4 427.54
1.64
indolapril 80876-01-3 C24H34N2O5 430.54
0.98
embusartan 156001-18-2 C25H24FN5O3 461.50
2.89
irbesartan 138402-11-6 C25H28N6O 428.54
3.17
adimolol 78459-19-5 C25H29N3O3 419.52
3.97
troxypyrrolium tosilate 3612-98-4 C25H35NO8S 509.62
-0.04
troxonium tosilate 391-70-8 C25H37NO8S 511.63
3.44
pentacynium chloride 77-12-3 C25H38Cl2N2O2 469.50
-1.11
nicardipine 55985-32-5 C26H29N3O6 479.53
2.20
flordipine 77590-96-6 C26H33F3N2O5 510.55
2.20
tiapamil 57010-31-8 C26H37NO8S2 555.71
-0.15
belfosdil 103486-79-9 C27H50O7P2 548.64
1.36
seganserin 87729-89-3 C29H27F2N3O 471.55
4.76
candoxatril 118785-03-8 C29H41NO7 515.65
6.71
fosinopril sodium 88889-14-9 C30H45NNaO7P 585.65
7.40
fosinopril 98048-97-6 C30H46NO7P 563.67
6.78
trimethaphan camsylate 68-91-7 C31H38N2O5S2 584.80
6.39
daglutril 182821-27-8 C31H38N2O6 534.65
2.39
terlakiren 119625-78-4 C31H48N4O7S 620.81
-0.42
azelnidipine 123524-52-7 C33H34N4O6 582.66
2.20
candesartan cilexetil 145040-37-5 C33H34N6O6 610.66
5.06
reserpine 50-55-5 C33H40N2O9 608.69
2.84
manidipine 120092-68-4 C35H38N4O6 610.71
2.20
zankiren 138742-43-5 C35H55N5O6S2 705.98
-0.61
lercanidipine 100427-26-7 C36H41N3O6 611.74
2.20
bietaserpine 53-18-9 C39H53N3O9 707.86
2.76
vatanidipine 116308-55-5 C42H44N4O6 700.84
2.21
saralasin 34273-10-4 C42H65N13O10 912.06
2.16
ditekiren 103336-05-6 C50H75N9O8 930.20
-1.50
ternidazole 14636-12-5 C52H74N16O15S2 1227.39
2.16
teprotide 35115-60-7 C53H76N14O12 1101.28
2.16


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