UCSF

ZINC09086287

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 No

Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-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) 2.71 8 -44.2 0 8 -1 97 454.499 10 ↓
Mid Mid (pH 6-8) 3.16 6.05 -30.97 1 8 0 95 455.507 9 ↓
Mid Mid (pH 6-8) 2.13 7.06 -24.91 0 8 0 91 455.507 10 ↓

Activity (Go SEA)

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