UCSF

ZINC06444663

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 32 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-py 4-[(4-chlorophenyl)-hydroxy-meth…

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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) 2.83 8.83 -52.49 0 8 -1 105 470.914 6 ↓
Mid Mid (pH 6-8) 2.25 9.55 -20.32 0 8 0 99 471.922 6 ↓
Mid Mid (pH 6-8) 3.28 8.19 -20.79 1 8 0 102 471.922 5 ↓

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