UCSF

ZINC09124157

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 31 No

Popular Name: 4-benzoyl-3-hydroxy-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-3-hydroxy-1-(2-methoxy…

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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) 1.99 6.4 -60.8 0 8 -1 97 426.445 9 ↓
Mid Mid (pH 6-8) 2.44 5.35 -27.99 1 8 0 95 427.453 8 ↓
Mid Mid (pH 6-8) 1.41 6.36 -22.56 0 8 0 91 427.453 9 ↓

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