UCSF

ZINC20281344

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 No

Popular Name: (5R)-5-(3-allyloxyphenyl)-4-(4-bromobenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5H-pyrrol-2-one (5R)-5-(3-allyloxyphenyl)-4-(4-b…

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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) 4.17 11.68 -70.1 1 6 0 74 499.405 10 ↓
Lo Low (pH 4.5-6) 4.17 10.86 -47.34 2 6 1 71 500.413 10 ↓

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