UCSF

ZINC13614788

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 33 No

Popular Name: (5S)-4-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-1-(2-di…

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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) 3.48 11.09 -69.88 1 7 0 83 472.969 10 ↓
Hi High (pH 8-9.5) 3.48 8.87 -55.01 0 7 -1 82 471.961 10 ↓
Mid Mid (pH 6-8) 3.93 9.98 -59.69 2 7 1 81 473.977 9 ↓

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