UCSF

ZINC09424436

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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 7.61 -60.49 1 9 -1 136 453.471 10 ↓
Mid Mid (pH 6-8) 2.52 7.54 -27.3 1 9 0 130 454.479 10 ↓
Mid Mid (pH 6-8) 3.55 6.56 -35.47 2 9 0 133 454.479 9 ↓

Activity (Go SEA)

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