UCSF

ZINC09086364

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 30 No

Popular Name: 5-(4-chlorophenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one 5-(4-chlorophenyl)-3-hydroxy-4-(…

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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) 3.74 9.28 -39.5 0 6 -1 79 428.892 8 ↓
Mid Mid (pH 6-8) 3.16 8.4 -24.87 0 6 0 73 429.9 8 ↓
Mid Mid (pH 6-8) 4.19 7.42 -28.49 1 6 0 76 429.9 7 ↓

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