UCSF

ZINC06193473

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 32 No

Popular Name: 1-(4,6-dimethylbenzothiazol-2-yl)-4-(hydroxy-phenyl-methylene)-5-(3-pyridyl)pyrrolidine-2,3-dione 1-(4,6-dimethylbenzothiazol-2-yl…

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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) 4.20 11.27 -67.29 0 6 -1 86 440.504 4 ↓
Mid Mid (pH 6-8) 4.20 11.09 -16.85 1 6 0 83 441.512 4 ↓
Mid Mid (pH 6-8) 3.61 11.45 -15.68 0 6 0 80 441.512 4 ↓
Lo Low (pH 4.5-6) 4.20 11.37 -41.17 2 6 1 85 442.52 4 ↓
Lo Low (pH 4.5-6) 3.61 11.73 -46.5 1 6 1 81 442.52 4 ↓

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