UCSF

ZINC09425009

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 34 No

Popular Name: 5-(2,5-dimethoxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one 5-(2,5-dimethoxyphenyl)-4-(4-eth…

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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) 2.11 3.72 -72.43 1 9 -1 118 470.498 12 ↓
Mid Mid (pH 6-8) 2.56 3.19 -32.66 2 9 0 115 471.506 11 ↓
Mid Mid (pH 6-8) 1.53 -3 -25.61 1 9 0 111 471.506 12 ↓

Activity (Go SEA)

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