UCSF

ZINC09459622

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 No

Popular Name: 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-nitrobenzoyl)-5-(4-tert-butylphenyl)-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) 3.30 8.17 -55.22 1 9 -1 136 467.498 10 ↓
Mid Mid (pH 6-8) 3.75 7.08 -29.73 2 9 0 133 468.506 9 ↓
Mid Mid (pH 6-8) 2.72 8.12 -20.91 1 9 0 130 468.506 10 ↓

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