UCSF

ZINC20132131

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-3-…

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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) 3.91 12.15 -78.65 1 6 0 74 436.552 10 ↓
Lo Low (pH 4.5-6) 3.91 11.32 -53.47 2 6 1 71 437.56 10 ↓

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