UCSF

ZINC20150081

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 30 No

Popular Name: (5S)-5-(4-bromophenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5S)-5-(4-bromophenyl)-1-(3-dime…

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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) 3.52 10.67 -78.99 1 6 0 74 473.367 8 ↓
Lo Low (pH 4.5-6) 3.52 9.84 -56.87 2 6 1 71 474.375 8 ↓

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