UCSF

ZINC66636452

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 20 No

Popular Name: 4-bromo-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-benzamide 4-bromo-N-[(4-ethyl-5-sulfanyl-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) 1.42 7.14 -15.42 2 5 0 63 359.224 4 ↓
Mid Mid (pH 6-8) 2.15 6.92 -42.1 1 5 -1 60 358.216 4 ↓

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

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