UCSF

ZINC16729951

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-5-(4-butoxyphenyl)-1-(3-diethylaminopropyl)-3-hydroxy-4-(4-propoxybenzoyl)-5H-pyrrol-2-one (5S)-5-(4-butoxyphenyl)-1-(3-die…

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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) 5.86 15.02 -75.19 1 7 0 83 522.686 16 ↓
Mid Mid (pH 6-8) 6.31 13.88 -58.98 2 7 1 81 523.694 15 ↓
Mid Mid (pH 6-8) 5.28 14.87 -62.39 1 7 1 77 523.694 16 ↓

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