UCSF

ZINC09240994

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Substance Information

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

Popular Name: 1-(6-ethoxybenzothiazol-2-yl)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-phenyl-pyrrolidine-2,3-dione 1-(6-ethoxybenzothiazol-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) 5.20 11.88 -53.95 0 6 -1 83 473.505 6 ↓
Mid Mid (pH 6-8) 5.20 11.75 -13.14 1 6 0 80 474.513 6 ↓
Mid Mid (pH 6-8) 4.62 -0.08 -11.77 0 6 0 76 474.513 6 ↓

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