UCSF

ZINC20171521

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 No

Popular Name: (5R)-5-(4-dimethylaminophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one (5R)-5-(4-dimethylaminophenyl)-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) 2.79 7.79 -58.57 0 7 -1 76 466.533 8 ↓
Mid Mid (pH 6-8) 2.79 10.13 -70.37 1 7 0 77 467.541 8 ↓
Lo Low (pH 4.5-6) 2.79 9.31 -48.53 2 7 1 75 468.549 8 ↓

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