UCSF

ZINC04901552

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 No

Popular Name: 5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydropyrrol-2-one 5-(2,5-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 4.55 -61.02 1 6 -1 88 352.366 5 ↓
Mid Mid (pH 6-8) 3.07 -2.03 -27.41 2 6 0 84 353.374 4 ↓
Mid Mid (pH 6-8) 2.04 -1.73 -19.3 1 6 0 81 353.374 5 ↓

Activity (Go SEA)

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