UCSF

ZINC65591425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 29 No

Popular Name: 3-[[methyl-[[4-phenyl-2-thioxo-3-(2,2,2-trifluoroethyl)imidazol-1-yl]methyl]amino]methyl]benzonitril 3-[[methyl-[[4-phenyl-2-thioxo-3…

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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) 3.79 13.29 -16.67 0 4 0 37 416.472 7 ↓
Lo Low (pH 4.5-6) 3.79 15.55 -59 1 4 1 38 417.48 7 ↓

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

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