UCSF

ZINC13205568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 28 No

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

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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 8.04 -64.46 0 6 -1 86 370.388 5 ↓
Mid Mid (pH 6-8) 0.72 8.22 -15.23 0 6 0 80 371.396 5 ↓
Mid Mid (pH 6-8) 1.75 7.57 -18.44 1 6 0 83 371.396 4 ↓
Lo Low (pH 4.5-6) 0.72 8.5 -45.82 1 6 1 81 372.404 5 ↓
Lo Low (pH 4.5-6) 0.72 8.5 -50.23 1 6 1 81 372.404 5 ↓
Lo Low (pH 4.5-6) 0.72 8.78 -95.93 2 6 2 83 373.412 5 ↓
Lo Low (pH 4.5-6) 1.75 7.85 -43.11 2 6 1 85 372.404 4 ↓
Lo Low (pH 4.5-6) 1.75 7.85 -57.68 2 6 1 85 372.404 4 ↓
Lo Low (pH 4.5-6) 1.75 8.13 -97.37 3 6 2 86 373.412 4 ↓

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