UCSF

ZINC13689821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-4-(5-fluoro-2-methoxy-benzoyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)-5H-pyrrol-2-on (5S)-4-(5-fluoro-2-methoxy-benzo…

Find On: PubMed — Wikipedia — Google

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) 2.38 11.47 -72.71 1 7 0 89 441.484 8 ↓
Mid Mid (pH 6-8) 2.82 9.77 -33.12 1 7 0 85 441.484 7 ↓
Mid Mid (pH 6-8) 1.79 10.95 -29.58 0 7 0 82 441.484 8 ↓
Mid Mid (pH 6-8) 2.82 10.28 -54.04 2 7 1 86 442.492 7 ↓
Mid Mid (pH 6-8) 1.79 11.47 -52.48 1 7 1 83 442.492 8 ↓
Mid Mid (pH 6-8) 2.38 10.95 -66.13 0 7 -1 87 440.476 8 ↓

Activity (Go SEA)

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