UCSF

ZINC09425144

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 39 No

Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-[4-(o-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) 4.33 11.07 -62.45 0 8 -1 97 530.597 12 ↓
Mid Mid (pH 6-8) 4.78 10.05 -32.36 1 8 0 95 531.605 11 ↓
Mid Mid (pH 6-8) 3.75 11.02 -27.94 0 8 0 91 531.605 12 ↓

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