UCSF

ZINC00555604

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 No

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.12 6.7 -44.27 0 4 -1 44 233.32 3 ↓
Mid Mid (pH 6-8) 1.40 6.55 -10.61 1 4 0 47 234.328 3 ↓

Activity (Go SEA)

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