UCSF

ZINC20131606

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-phenyl-5H-pyrrol-2-one (5R)-1-(3-dimethylaminopropyl)-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) 2.71 9.92 -81.23 1 6 0 74 394.471 8 ↓
Lo Low (pH 4.5-6) 2.71 9.1 -55.44 2 6 1 71 395.479 8 ↓

Activity (Go SEA)

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