UCSF

ZINC09041907

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 No

Popular Name: 4-[hydroxy-(p-tolyl)methylene]-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-pyrrolidine-2,3-dione 4-[hydroxy-(p-tolyl)methylene]-1…

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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) 2.91 8.71 -55.11 0 9 -1 119 464.498 8 ↓
Mid Mid (pH 6-8) 3.35 10.37 -50.94 2 9 1 117 466.514 7 ↓
Mid Mid (pH 6-8) 2.91 11.03 -73.18 1 9 0 120 465.506 8 ↓

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