UCSF

ZINC19885355

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 No

Popular Name: (5S)-5-(4-diethylaminophenyl)-1-(2-dimethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(4-diethylaminophenyl)-1-…

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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) 3.43 11.77 -69.49 1 6 0 68 439.531 9 ↓
Hi High (pH 8-9.5) 3.43 9.23 -57.33 0 6 -1 67 438.523 9 ↓
Lo Low (pH 4.5-6) 3.43 10.95 -48.67 2 6 1 65 440.539 9 ↓

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