UCSF

ZINC13692351

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Substance Information

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

Popular Name: (5S)-4-(5-chloro-2-methoxy-benzoyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)-5H-pyrrol-2-on (5S)-4-(5-chloro-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) 2.89 10.84 -47.69 0 7 -1 87 456.931 8 ↓
Mid Mid (pH 6-8) 2.31 11.93 -52.14 1 7 1 83 458.947 8 ↓
Mid Mid (pH 6-8) 2.89 11.25 -43.89 2 7 1 86 458.947 8 ↓
Mid Mid (pH 6-8) 2.31 11.41 -29.16 0 7 0 82 457.939 8 ↓
Mid Mid (pH 6-8) 3.34 10.22 -32.55 1 7 0 85 457.939 7 ↓
Mid Mid (pH 6-8) 2.89 11.32 -57.01 1 7 0 89 457.939 8 ↓

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