UCSF

ZINC57291877

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 21 No

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

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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) 1.38 7.48 -15.72 2 5 0 63 308.382 5 ↓
Mid Mid (pH 6-8) 2.11 7.28 -45.69 1 5 -1 60 307.374 5 ↓

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

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