UCSF

ZINC13127649

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 No

Popular Name: (4E,5R)-4-(hydroxy-phenyl-methylene)-1-(5-methylisoxazol-3-yl)-5-(2-thienyl)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) 2.80 8.89 -66.8 0 6 -1 86 365.39 4 ↓
Mid Mid (pH 6-8) 2.22 9.07 -10.73 0 6 0 80 366.398 4 ↓
Lo Low (pH 4.5-6) 2.80 8.06 -20.12 1 6 0 84 366.398 4 ↓

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