UCSF

ZINC05357258

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 32 No

Popular Name: 5-[[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(2-ethylhexyl)-2-thioxo-thiazolidin-4-o 5-[[3-(4-benzyloxyphenyl)-1-phen…

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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) 2.50 9.02 -50.03 0 10 -1 141 451.44 6 ↓
Mid Mid (pH 6-8) 1.91 8.97 -18.48 0 10 0 135 452.448 6 ↓
Mid Mid (pH 6-8) 2.94 7.94 -27.25 1 10 0 138 452.448 5 ↓

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