Diuretic and abtidiuretic 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,


NAME CAS FORMULA MWTerraQSAR - LOGP
acetazolamide 59-66-5 C4H6N4O3S2 222.24
0.54
methazolamide 554-57-4 C5H8N4O3S2 236.27
1.83
chlormerodrin 62-37-3 C5H11ClHgN2O2 367.20
0.56
clofenamide 671-95-4 C6H7ClN2O4S2 270.71
-0.17
amiloride 1428-95-1 C6H8ClN7O 229.63
-0.45
mannitol, D 69-65-8 C6H14O6 182.17
-3.10
hydrochlorthiazide 58-93-5 C7H8ClN3O4S2 297.73
-0.07
teclothiazide 4267-05-4 C8H7Cl4N3O4S2 415.09
0.82
trichlormethiazide 133-67-5 C8H8Cl3N3O4S2 380.66
0.04
hydroflumethiazide 135-09-1 C8H8F3N3O4S2 331.29
-0.08
chlorazanil 500-42-5 C9H8ClN5 221.65
2.21
tiamizide 3688-85-5 C9H11ClN2O3S 262.71
0.03
methyclothiazide 135-07-9 C9H11Cl2N3O4S2 360.24
-0.07
alipamide 3184-59-6 C9H12ClN3O3S 277.73
0.05
sulocarbilate 121-64-2 C9H12N2O5S 260.27
-0.14
amisometradine 550-28-7 C9H13N3O2 195.22
0.78
clazolimine 40828-44-2 C10H10ClN3O 223.66
3.07
epithiazide; epitizide 1764-85-8 C10H11ClF3N3O4S3 425.85
-0.10
azolimine 40828-45-3 C10H11N3O 189.22
2.26
quinethazone 73-49-4 C10H12ClN3O3S 289.74
0.11
muzolimine 55294-15-0 C11H11Cl2N3O 272.13
2.09
polythiazide 346-18-9 C11H13ClF3N3O4S3 439.88
-0.10
tizolemide 56488-58-5 C11H14ClN3O3S2 335.83
1.23
altizide 5588-16-9 C11H14ClN3O4S3 383.89
-0.10
buthiazide; butizide 2043-38-1 C11H16ClN3O4S2 353.85
-0.07
ozolinone 56784-39-5 C11H16N2O3S 256.32
1.18
furosemide 54-31-9 C12H11ClN2O5S 330.74
2.03
ampyrimine 5587-93-9 C12H11N7 253.27
1.72
triamterene 396-01-0 C12H11N7 253.27
0.98
mercuderamide 525-30-4 C12H15HgNO6 469.84
1.39
ticrynafen; tienilic acid 40180-04-9 C13H8Cl2O4S 331.17
2.47
ethacrynic acid 58-54-8 C13H12Cl2O4 303.14
2.53
ambuside 3754-19-6 C13H16ClN3O5S2 393.87
-0.24
mersalyl 492-18-2 C13H16HgNNaO6 505.85
1.87
cyclopenthiazide 742-20-1 C13H18ClN3O4S2 379.88
-0.07
penflutizide 1766-91-2 C13H18F3N3O4S2 401.43
-0.09
mefruside 7195-27-9 C13H19ClN2O5S2 382.88
-0.16
mebutizide 3568-00-1 C13H20ClN3O4S2 381.90
-0.08
etozolin 73-09-6 C13H20N2O3S 284.38
3.26
cicletanine 89943-82-8 C14H12ClNO2 261.71
2.46
fenquizone 20287-37-0 C14H12ClN3O3S 337.78
0.27
paraflutizide 1580-83-2 C14H13ClFN3O4S2 405.85
-0.08
cyclothiazide 2259-96-3 C14H16ClN3O4S2 389.88
-0.09
clorexolone 2127-01-7 C14H17ClN2O3S 328.82
0.46
clopamide 636-54-4 C14H20ClN3O3S 345.85
0.51
brocrinat; halocrinic acid 72481-99-3 C15H9BrFNO4 366.15
3.24
oxazepam 604-75-1 C15H11ClN2O2 286.72
2.24
benzthiazide 91-33-8 C15H14ClN3O4S3 431.94
-0.22
galosemide 52157-91-2 C15H14F3N3O3S 373.35
2.10
bendroflumethiazide 73-48-3 C15H14F3N3O4S2 421.42
-0.09
besulpamide 90992-25-9 C15H16ClN3O3S 353.83
0.62
bemetizide 1824-52-8 C15H16ClN3O4S2 401.89
-0.08
xipamide 14293-44-8 C15H21ClN2O4S 356.83
0.46
oxycinchophen 485-89-2 C16H11NO3 265.27
2.53
metolazone 17560-51-9 C16H16ClN3O3S 365.84
0.62
tripamide 73803-48-2 C16H20ClN3O3S 369.87
0.71
torasemide; torsemide 56211-40-6 C16H20N4O3S 348.42
2.76
alilusem 144506-11-6 C17H15ClN2O5S 394.83
2.51
piretanide 55837-27-9 C17H18N2O5S 362.40
2.57
bumetanide 28395-03-1 C17H20N2O5S 364.42
2.69
indacrinone 57296-63-6 C18H14Cl2O4 365.21
3.08
oxazepam hemisuccinate [acid] 36434-10-3 C19H15ClN2O5 388.81
2.63
lisinopril 76547-98-3 C21H31N3O5 405.49
1.11
mercurophylline 8012-34-8 C21H32HgN5NaO7 690.09
2.05
losartan 114798-26-4 C22H23ClN6O 422.92
3.18
spiradoline 87151-85-7 C22H30Cl2N2O2 425.40
4.00
sitalidone 108894-39-9 C23H29ClN2O5S 481.01
1.86
spironolactone 52-01-7 C24H32O4S 416.58
2.33
argipressin 113-79-1 C46H65N15O12S2 1084.25
2.16
anaritide 95896-08-5 C112H175N39O35S3 2726.04
1.77
carperitide 89213-87-6 C127H203N45O39S3 3080.49
-1.70


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