UCSF

ZINC33808786

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 No

Popular Name: (5Z)-2-(4-benzylpiperazin-1-yl)-5-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methylene]thiazol-4-one (5Z)-2-(4-benzylpiperazin-1-yl)-…

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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) 3.59 11.73 -17.54 0 7 0 67 506.635 6 ↓
Mid Mid (pH 6-8) 3.59 14 -64.78 1 7 1 68 507.643 6 ↓
Lo Low (pH 4.5-6) 3.59 14.44 -102.93 2 7 2 70 508.651 6 ↓

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