UCSF

ZINC13470741

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 31 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one (5S)-5-(3,4-dimethoxyphenyl)-3-h…

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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) 2.04 5.79 -63.42 0 8 -1 97 426.445 9 ↓
Mid Mid (pH 6-8) 2.49 4.98 -32.74 1 8 0 95 427.453 8 ↓
Mid Mid (pH 6-8) 1.46 5.97 -28.34 0 8 0 91 427.453 9 ↓

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