UCSF

ZINC03641832

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 No

Popular Name: 1-Amino-5-(4-pyridyl)-1H-1,2,4-triazole-3-thiol; 1H-1,2,4-Triazole-3-thiol, 1-amino-5-(4-pyridyl)-; BRN 2975635; LS-156114; Pyridine, 4-(1-amino-3-mercapto-1H-1,2,4-triazol-5-yl)- 1-Amino-5-(4-pyridyl)-1H-1,2,4-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.38 3.03 -22.65 3 5 0 71 193.235 1 ↓
Hi High (pH 8-9.5) 0.38 2.64 -48.09 2 5 -1 70 192.227 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )