UCSF

ZINC20265471

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 No

Popular Name: 5-(3,4-diethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 5-(3,4-diethoxyphenyl)-4-(4-fluo…

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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) 2.82 7.67 -56.27 0 8 -1 91 497.543 10 ↓
Mid Mid (pH 6-8) 2.82 10.02 -68.14 1 8 0 93 498.551 10 ↓
Lo Low (pH 4.5-6) 2.82 9.21 -55.42 2 8 1 90 499.559 10 ↓

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