UCSF

ZINC20232219

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-4-benzoyl-1-(2-diethylaminoethyl)-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-5H-pyrrol-2-one (5S)-4-benzoyl-1-(2-diethylamino…

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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) 3.69 11.85 -69.33 1 7 0 83 466.578 12 ↓
Hi High (pH 8-9.5) 3.69 9.63 -59.89 0 7 -1 82 465.57 12 ↓
Lo Low (pH 4.5-6) 3.69 11.02 -50.05 2 7 1 81 467.586 12 ↓

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