UCSF

ZINC09235582

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 No

Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-tert-butylphenyl)-pyr 4-[(4-fluorophenyl)-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) 4.38 11.45 -52.24 0 6 -1 86 450.515 5 ↓
Mid Mid (pH 6-8) 3.79 2 -11.53 0 6 0 80 451.523 5 ↓
Lo Low (pH 4.5-6) 4.38 10.63 -14.35 1 6 0 83 451.523 5 ↓

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