Vasodilators [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,


NAME CAS FORMULA MWTerraQSAR - LOGP
aminoethyl nitrate 646-02-6 C2H6N2O3 106.08
-0.92
sodium nitroprusside 15078-28-1 C5FeN6NaO 238.93
-0.63
nipride 13755-38-9 C5FeN6Na2O 261.92
-0.53
pentrinitrol 1607-17-6 C5H9N3O10 271.14
-0.59
3-pyridinemethanol; nicotinyl alcohol 100-55-0 C6H7NO 109.13
0.03
isosorbide dinitrate 87-33-2 C6H8N2O8 236.14
-0.63
linsidomine 33876-97-0 C6H10N4O2 170.17
0.50
isosorbide 652-67-5 C6H10O4 146.14
-0.29
linsidomine hydrochloride 16142-27-1 C6H11ClN4O2 206.63
0.31
propatylnitrate 2921-92-8 C6H11N3O9 269.17
-0.57
trolnitrate 7077-34-1 C6H12N4O9 284.18
-0.59
acetylcholine chloride 60-31-1 C7H16ClNO2 181.66
-2.52
acetylcholine [anion not specified] 51-84-3 C7H16NO3 162.21
-3.08
oxfenicine 32462-30-9 C8H9NO3 167.16
-2.04
nicorandil 65141-46-0 C8H9N3O4 211.18
-0.58
pildralazine 64000-73-3 C8H15N5O 197.24
0.34
oxdralazine 17259-75-5 C8H15N5O2 213.24
0.35
heptaminol 372-66-7 C8H19NO 145.25
2.36
hydroxypyridine tartrate 7008-17-5 C9H9NO6 227.17
1.16
itramin tosilate 13445-63-1 C9H14N2O6S 278.28
0.92
molsidomine 25717-80-0 C9H15N4O4 243.24
0.85
darsidomine 137500-42-6 C9H16N4O 196.25
2.56
sinitrodil 143248-63-9 C10H10N2O5 238.20
0.92
tolazoline 59-98-3 C10H12N2 160.22
2.40
tolazoline hydrochloride 59-97-2 C10H13ClN2 196.68
1.48
bupicomide 22632-06-0 C10H14N2O 178.23
-0.33
dyphylline; diprophylline 479-18-5 C10H14N4O4 254.25
-0.15
tolmesoxide 38452-29-8 C10H14O3S 214.28
0.55
trapidil 15421-84-8 C10H15N5 205.26
1.15
ipramidil 83656-38-6 C10H16N4O4 256.26
0.31
bemarinone 92210-43-0 C11H12N2O3 220.23
1.22
methoxamine 390-28-3 C11H17NO3 211.26
1.47
mefenidil 58261-91-9 C12H11N3 197.24
2.07
gapicomine 1539-39-5 C12H13N3 199.26
1.49
carprazidil 68020-77-9 C12H13N5O4 291.27
-0.02
bumepidil 62052-97-5 C12H17N5 231.30
1.51
cadralazine 64241-34-5 C12H21N5O3 283.33
0.61
furidarone 4662-17-3 C13H10I2O3 468.03
4.59
lomifylline 10226-54-7 C13H18N4O3 278.31
-0.10
pinacidil 85371-64-8 C13H19N5 245.33
0.61
endralazine 39715-02-1 C13H20N4O 248.33
2.04
simendan 131741-08-7 C14H12N6O 280.29
1.93
mopidralazine 75841-82-6 C14H19N5O 273.34
0.89
pindolol 13523-86-9 C14H20N2O2 248.32
1.75
imolamine 318-23-0 C14H20N4O 260.34
2.09
trimetazidine 5011-34-7 C14H22N2O3 266.34
1.59
cloridarol 3611-72-1 C15H11ClO2 258.70
5.22
nanterinone 102791-47-9 C15H15N3O 253.30
2.23
pimefylline 10001-43-1 C15H18N6O2 314.35
-0.25
naminidil 220641-11-2 C15H19N5 269.35
2.15
indenolol 60607-68-3 C15H21NO2 247.34
3.09
mixidine 27737-38-8 C15H22N2O2 262.35
2.22
oxprenolol 6452-71-7 C15H23NO3 265.35
2.10
oxprenolol hydrochloride 6452-73-9 C15H24ClNO3 301.81
1.58
papaveroline 574-77-6 C16H13NO4 283.28
1.80
NCX-4016; CAS also 190442-10-5 175033-36-0 C16H13NO7 331.28
3.34
adibendan 100510-33-6 C16H14N4O 278.31
2.39
dazmegrel 76894-77-4 C16H17N3O2 283.33
1.42
fenoldopam 67227-56-9 C16H18ClNO3 307.78
3.91
benziodarone 68-90-6 C17H12I2O3 518.09
6.84
bimakalim 117545-11-6 C17H14N2O2 278.31
1.41
fenoterol 13392-18-2 C17H21NO4 303.36
1.71
pirsidomine 132722-74-8 C17H22N4O3 330.39
1.40
cyclandelate 456-59-7 C17H24O3 276.38
4.43
buflomedil 55837-25-7 C17H25NO4 307.39
1.81
riodipine 71653-63-9 C18H19F2NO5 367.35
2.20
fostedil 75889-62-2 C18H20NO3PS 361.40
4.51
metrifudil 23707-33-7 C18H21N5O4 371.40
0.08
tiodazosin 66969-81-1 C18H21N7O4S 431.47
1.39
vintoperol 106498-99-1 C18H24N2O 284.40
3.07
butalamine 22131-35-7 C18H28N4O 316.45
2.45
efloxate 119-41-5 C19H16O5 324.33
3.53
benfurodil hemisuccinate 3447-95-8 C19H18O7 358.35
2.04
chloracyzine 800-22-6 C19H21ClN2OS 360.91
4.72
darodipine 72803-02-2 C19H21N3O5 371.39
2.20
oxyfedrine 15687-41-9 C19H23NO3 313.40
4.62
pipratecol 15534-05-1 C19H24N2O4 344.41
0.82
tolamolol 38103-61-6 C19H24N2O4 344.41
3.03
buphenine; nylidrin 447-41-6 C19H25NO2 299.41
3.96
mesuprine 7541-30-2 C19H26N2O5S 394.49
0.26
xantinol nicotinate 437-74-1 C19H26N6O6 434.45
0.43
bencyclane 2179-37-5 C19H31NO 289.46
6.51
hexadiline 3626-67-3 C19H33N 275.48
4.80
perhexiline 6621-47-2 C19H35N 277.50
5.00
cyclopiazonic acid 18172-33-3 C20H20N2O3 336.39
2.76
papaverine 58-74-2 C20H21NO4 339.39
2.95
cilostamide 68550-75-4 C20H26N2O3 342.44
2.83
piridoxilate 24340-35-0 C20H26N2O12 486.43
0.39
fenalcomine 34616-39-2 C20H27NO2 313.44
3.20
carbocromen 804-10-4 C20H27NO5 361.44
2.56
bamifylline 2016-63-9 C20H27N5O3 385.47
-0.11
cinepazet 23887-41-4 C20H28N2O6 392.45
2.08
urapidil 34661-75-1 C20H29N5O3 387.48
1.11
trimazosin 35795-16-5 C20H29N5O6 435.48
1.68
prostaglandin E1, 6-keto 67786-53-2 C20H30O6 366.45
7.51
cetiedil 14176-10-4 C20H31NO2S 349.54
6.45
suloctidil 54063-56-8 C20H35NOS 337.57
4.05
tipropidil 70895-45-3 C20H36ClNO2S 390.03
2.58
ataciguat 254877-67-3 C21H19Cl2N3O6S3 576.50
-0.08
visnadine 477-32-7 C21H24O7 388.42
2.12
brovincamine 57475-17-9 C21H25BrN2O3 433.35
2.49
vincamine 1617-90-9 C21H26N2O3 354.45
2.41
nimodipine 66085-59-4 C21H26N2O7 418.45
2.20
etafenone 90-54-0 C21H27NO2 325.45
4.46
ifenprodil 23210-56-2 C21H27NO2 325.45
4.43
morocromen 35843-07-3 C21H27N3O5 401.46
2.60
etriciguat 402595-29-3 C22H16FN7 397.42
2.00
tadalafil; Cialis 171596-29-5 C22H19N3O4 389.41
2.06
diniprofylline 17692-30-7 C22H20N6O6 464.44
2.05
dasantafil 569351-91-3 C22H28BrN5O5 522.40
-0.08
brefonalol 104051-20-9 C22H28N2O2 352.48
4.02
cinepazide 23887-46-9 C22H31N3O5 417.51
2.75
iloprost 73873-87-7 C22H32O4 360.49
7.23
nocloprost 79360-43-3 C22H37ClO4 400.99
6.23
6,7-bis(benzyloxy)coumarin 909-84-2 C23H18O4 358.39
3.25
azaftozine 54063-26-2 C23H24F3N3OS 447.52
4.84
fendiline 13042-18-7 C23H25N 315.46
4.64
avanafil 330784-47-9 C23H26ClN7O3 483.96
1.90
mindodilol 70260-53-6 C23H28N2O3 380.49
3.20
vardenafil 224785-90-4 C23H32N6O4S 488.61
1.74
treprostinil 81846-19-7 C23H34O5 390.52
0.96
viprostol 73647-73-1 C23H36O5 392.54
6.62
perhexiline maleate 6724-53-4 C23H39NO4 393.57
5.10
prenylamine 390-64-7 C24H27N 329.49
4.63
drotaverine 14009-24-6 C24H31NO4 397.51
3.09
droprenilamine 57653-27-7 C24H33N 335.53
4.79
dipyridamol; dipyridamole 58-32-2 C24H40N8O4 504.64
0.36
beminafil 566906-50-1 C25H24ClN3O3S 482.00
1.75
udenafil 268203-93-6 C25H36N6O4S 516.66
0.55
bencianol 85443-48-7 C28H22O6 454.48
2.90
trelnarizine 123205-52-7 C28H30F2N2O2 464.56
5.75
sildenafil citrate; Viagra 171599-83-0 C28H38N6O11S 666.71
0.82
gallopamil 16662-47-8 C28H40N2O5 484.64
3.79
fenoxedil 54063-40-0 C28H42N2O5 486.65
4.12
elgodipine 119413-55-7 C29H33FN2O6 524.59
2.20
dotarizine 84625-59-2 C29H34N2O2 442.60
5.31
nicofuranose 15351-13-0 C30H24N4O10 600.54
2.16
lidoflazine 3416-26-0 C30H35F2N3O 491.63
4.97
hexobendine 54-03-5 C30H44N2O10 592.69
6.85
fantofarone 114432-13-2 C31H38N2O5S 550.72
2.57
buterizine 68741-18-4 C31H38N4 466.67
5.10
dilazep 35898-87-4 C31H44N2O10 604.70
6.65
elziverine 95520-81-3 C32H37N3O5 543.66
3.02
nicofurate 4397-91-5 C35H28N4O11 680.63
2.32
inositol nicotinate 6556-11-2 C42H30N6O12 810.73
2.21
vatanidipine 116308-55-5 C42H44N4O6 700.84
2.21
iodenafil carbonate 398507-55-6 C47H62N12O11S2 1035.21
1.91
aviptadil 40077-57-4 C147H238N44O42S 3326.79
0.78


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