UCSF

ZINC13689822

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Substance Information

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

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

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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) 2.38 11.76 -74.07 1 7 0 89 441.484 8 ↓
Mid Mid (pH 6-8) 2.82 9.7 -33.11 1 7 0 85 441.484 7 ↓
Mid Mid (pH 6-8) 1.79 10.91 -29.37 0 7 0 82 441.484 8 ↓
Mid Mid (pH 6-8) 2.82 10.21 -53.99 2 7 1 86 442.492 7 ↓
Mid Mid (pH 6-8) 1.79 11.42 -52.35 1 7 1 83 442.492 8 ↓
Mid Mid (pH 6-8) 2.38 11.24 -64.94 0 7 -1 87 440.476 8 ↓

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