UCSF

ZINC09233513

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 No

Popular Name: 4-(hydroxy-phenyl-methylene)-5-(3-methoxy-4-propoxy-phenyl)-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) 3.07 9.85 -63.53 0 7 -1 92 457.506 9 ↓
Mid Mid (pH 6-8) 3.51 9.61 -20.65 1 7 0 89 458.514 8 ↓
Mid Mid (pH 6-8) 2.48 0 -13.32 0 7 0 85 458.514 9 ↓
Lo Low (pH 4.5-6) 3.51 9.92 -47.79 2 7 1 90 459.522 8 ↓
Lo Low (pH 4.5-6) 2.48 0.12 -45.71 1 7 1 87 459.522 9 ↓

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