UCSF

ZINC57291880

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 22 No

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

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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) 1.79 8.01 -25.96 2 5 0 63 322.409 6 ↓
Mid Mid (pH 6-8) 2.51 7.91 -57.59 1 5 -1 60 321.401 6 ↓

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

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