UCSF

ZINC09463531

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 No

Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-3-hydrox…

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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) 4.09 10.75 -63.64 0 8 -1 97 516.57 11 ↓
Mid Mid (pH 6-8) 4.53 9.64 -33.95 1 8 0 95 517.578 10 ↓
Mid Mid (pH 6-8) 3.50 10.63 -27.43 0 8 0 91 517.578 11 ↓

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