UCSF

ZINC65531415

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

Popular Name: 1-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl hydrosulfide 1-[2-(trifluoromethyl)phenyl]-1H…

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Download: MOL2 SDF SMILES Flexibase

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) 2.32 5.17 -37.17 3 4 1 51 244.318 3 ↓
Hi High (pH 8-9.5) 2.32 4.7 -8.05 2 4 0 50 243.31 3 ↓
Lo Low (pH 4.5-6) 2.32 6.12 -45.68 3 4 1 55 244.318 3 ↓

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

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