UCSF

ZINC41585402

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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-(2-fluorophenyl)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) 6.72 15.12 -40.44 2 5 1 58 501.622 5 ↓
Mid Mid (pH 6-8) 6.72 15.69 -29.35 1 5 0 61 500.614 5 ↓
Mid Mid (pH 6-8) 6.72 12.88 -9.28 1 5 0 57 500.614 5 ↓
Mid Mid (pH 6-8) 6.72 13.47 -47.73 0 5 -1 60 499.606 5 ↓

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