UCSF

ZINC17744232

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 17 No

Popular Name: 4-cyclopentyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol 4-cyclopentyl-5-pyridin-4-yl-4H-…

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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) 2.40 6.94 -44.39 0 4 -1 44 245.331 2 ↓
Mid Mid (pH 6-8) 1.67 7.1 -11.03 1 4 0 47 246.339 2 ↓

Activity (Go SEA)

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