UCSF

ZINC37718635

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 No

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

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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) 0.67 7.67 -13.48 1 4 0 47 234.328 4 ↓
Mid Mid (pH 6-8) 1.40 7.56 -46.26 0 4 -1 44 233.32 4 ↓
Lo Low (pH 4.5-6) 0.67 8.14 -49.37 2 4 1 48 235.336 4 ↓

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

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