UCSF

ZINC09086370

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 No

Popular Name: 5-(2,3-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2-one 5-(2,3-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) 2.62 7 -45.44 0 8 -1 97 440.472 9 ↓
Mid Mid (pH 6-8) 2.03 7.48 -20.44 0 8 0 91 441.48 9 ↓
Mid Mid (pH 6-8) 3.06 6.9 -18.54 1 8 0 95 441.48 8 ↓

Activity (Go SEA)

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