UCSF

ZINC09425175

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 32 No

Popular Name: 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(3-methoxyphenyl)-4-(4-nitrobenzoyl)-5H-pyrrol-2-one 3-hydroxy-1-[2-(2-hydroxyethoxy)…

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Download: MOL2 SDF SMILES Flexibase

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) 1.63 5.01 -59.33 1 10 -1 145 441.416 10 ↓
Mid Mid (pH 6-8) 2.07 3.96 -35.24 2 10 0 142 442.424 9 ↓
Mid Mid (pH 6-8) 1.04 -2.79 -26.87 1 10 0 138 442.424 10 ↓

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