UCSF

ZINC41585266

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (2E)-2-[(4-tert-butylphenyl)methylene]-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-meth (2E)-2-[(4-tert-butylphenyl)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) 7.26 12.88 -9.22 1 5 0 57 517.069 5 ↓
Mid Mid (pH 6-8) 7.26 15.69 -29.95 1 5 0 61 517.069 5 ↓
Mid Mid (pH 6-8) 7.26 15.13 -47.72 2 5 1 58 518.077 5 ↓
Mid Mid (pH 6-8) 7.26 13.47 -43.05 0 5 -1 60 516.061 5 ↓

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