UCSF

ZINC09471108

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 No

Popular Name: 5-(3,4-dimethoxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-4-(4-eth…

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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) 1.72 4.46 -66.06 1 9 -1 118 470.498 12 ↓
Mid Mid (pH 6-8) 2.16 3.91 -29.81 2 9 0 115 471.506 11 ↓
Mid Mid (pH 6-8) 1.13 4.89 -22.79 1 9 0 112 471.506 12 ↓

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