UCSF

ZINC06813730

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 No

Popular Name: 4-(hydroxy-phenyl-methylene)-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-(hydroxy-phenyl-methylene)-5-(…

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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) 1.30 7.01 -62.77 0 6 -1 86 370.388 5 ↓
Mid Mid (pH 6-8) 1.75 8.21 -14.35 1 6 0 83 371.396 4 ↓
Mid Mid (pH 6-8) 0.72 8.17 -12.47 0 6 0 80 371.396 5 ↓
Lo Low (pH 4.5-6) 0.72 8.45 -46.62 1 6 1 81 372.404 5 ↓
Lo Low (pH 4.5-6) 0.72 8.46 -48.91 1 6 1 81 372.404 5 ↓
Lo Low (pH 4.5-6) 0.72 8.74 -102.21 2 6 2 83 373.412 5 ↓
Lo Low (pH 4.5-6) 1.75 8.48 -51.21 2 6 1 85 372.404 4 ↓
Lo Low (pH 4.5-6) 1.75 8.5 -47.31 2 6 1 85 372.404 4 ↓
Lo Low (pH 4.5-6) 1.75 8.77 -101.37 3 6 2 86 373.412 4 ↓

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