UCSF

ZINC09424437

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 33 No

Popular Name: 3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-isopropylphenyl)-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) 3.11 8.08 -60.36 1 9 -1 136 453.471 10 ↓
Mid Mid (pH 6-8) 2.52 -1.77 -25.19 1 9 0 129 454.479 10 ↓
Mid Mid (pH 6-8) 3.55 7.05 -35.56 2 9 0 133 454.479 9 ↓

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