UCSF

ZINC37718634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 15 No

Popular Name: 5-methyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[2-(3-pyridyl)ethyl]-…

Find On: PubMed — Wikipedia — Google

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) 0.10 6.84 -14.08 1 4 0 47 220.301 3 ↓
Mid Mid (pH 6-8) 0.83 6.96 -46.49 0 4 -1 44 219.293 3 ↓
Lo Low (pH 4.5-6) 0.10 7.31 -49.41 2 4 1 48 221.309 3 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.