UCSF

ZINC16734151

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-5-(4-butoxyphenyl)-4-(4-chlorobenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(4-butoxyphenyl)-4-(4-chl…

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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) 4.85 13.06 -73.59 1 6 0 74 470.997 11 ↓
Mid Mid (pH 6-8) 5.30 11.93 -59.92 2 6 1 71 472.005 10 ↓
Mid Mid (pH 6-8) 4.27 12.93 -59.92 1 6 1 68 472.005 11 ↓

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