UCSF

ZINC04736542

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 20 No

Popular Name: N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2-methoxy-benzamide N-(4-Ethyl-5-mercapto-4H-[1,2,4]…

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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) 1.08 7.03 -16.14 2 6 0 72 292.364 5 ↓
Mid Mid (pH 6-8) 1.80 6.81 -47.1 1 6 -1 69 291.356 5 ↓

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

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