UCSF

ZINC41585883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzof (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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) 4.37 9.83 -38.87 2 6 1 71 466.92 4 ↓
Hi High (pH 8-9.5) 4.37 10.1 -43.92 0 6 -1 73 464.904 4 ↓
Mid Mid (pH 6-8) 4.37 12.09 -105.07 3 6 2 72 467.928 4 ↓
Mid Mid (pH 6-8) 4.37 9.51 -12.52 1 6 0 70 465.912 4 ↓
Lo Low (pH 4.5-6) 4.37 11.77 -45.53 2 6 1 71 466.92 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.