UCSF

ZINC13691772

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5S)-4-(3-fluoro-4-methoxy-benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(3-fluoro-4-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) 2.83 8.76 -39.08 0 6 -1 83 435.406 6 ↓
Mid Mid (pH 6-8) 2.24 9.12 -24.33 0 6 0 77 436.414 6 ↓
Mid Mid (pH 6-8) 3.27 8.1 -31.04 1 6 0 80 436.414 5 ↓
Lo Low (pH 4.5-6) 2.83 8.71 -63.04 2 6 1 81 437.422 6 ↓
Lo Low (pH 4.5-6) 2.24 9.4 -73.84 1 6 1 78 437.422 6 ↓

Activity (Go SEA)

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