UCSF

ZINC09234849

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 No

Popular Name: 1-(4,5-dimethylthiazol-2-yl)-4-(hydroxy-phenyl-methylene)-5-(3-nitrophenyl)-pyrrolidine-2,3-dione 1-(4,5-dimethylthiazol-2-yl)-4-(…

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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) 3.51 11.14 -51.91 0 8 -1 119 434.453 5 ↓
Mid Mid (pH 6-8) 3.95 11.15 -21.47 1 8 0 116 435.461 4 ↓
Mid Mid (pH 6-8) 2.92 0.09 -16.55 0 8 0 113 435.461 5 ↓

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