UCSF

ZINC16729458

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 30 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydroxy-5-phenyl-5H-pyrrol-2-one (5R)-1-(3-dimethylaminopropyl)-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) 2.83 9.99 -72.78 1 6 0 74 412.461 8 ↓
Mid Mid (pH 6-8) 3.27 8.85 -58.92 2 6 1 71 413.469 7 ↓
Mid Mid (pH 6-8) 2.24 9.82 -57.44 1 6 1 68 413.469 8 ↓

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