UCSF

ZINC09175462

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 35 No

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

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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) 4.62 11.55 -53.61 0 9 -1 128 486.485 6 ↓
Mid Mid (pH 6-8) 4.62 11.4 -15.18 1 9 0 126 487.493 6 ↓
Mid Mid (pH 6-8) 4.04 -0.47 -14.54 0 9 0 122 487.493 6 ↓

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