UCSF

ZINC09130719

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 32 No

Popular Name: 3-hydroxy-1-(2-hydroxyethyl)-4-(4-methoxybenzoyl)-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-1-(2-hydroxyethyl)-4-(…

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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) 1.43 4.05 -46.92 1 9 -1 118 442.444 9 ↓
Mid Mid (pH 6-8) 1.88 2.58 -28.62 2 9 0 115 443.452 8 ↓
Mid Mid (pH 6-8) 0.85 3.57 -23.11 1 9 0 112 443.452 9 ↓

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