UCSF

ZINC13550811

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

Popular Name: (5S)-4-benzoyl-1-(3-dimethylaminopropyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one (5S)-4-benzoyl-1-(3-dimethylamin…

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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) 2.31 9.73 -82.93 1 8 0 93 454.523 10 ↓
Mid Mid (pH 6-8) 2.76 8.54 -65.37 2 8 1 90 455.531 9 ↓
Mid Mid (pH 6-8) 1.73 9.53 -70.26 1 8 1 87 455.531 10 ↓

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