UCSF

ZINC41585852

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2E)-2-[(4-tert-butylphenyl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]ben (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) 5.70 11.91 -34.11 2 6 1 71 484.62 5 ↓
Hi High (pH 8-9.5) 5.70 12.33 -44.54 0 6 -1 73 482.604 5 ↓
Mid Mid (pH 6-8) 5.70 12.67 -51.46 1 6 0 74 483.612 5 ↓
Mid Mid (pH 6-8) 5.70 11.57 -9.96 1 6 0 70 483.612 5 ↓
Mid Mid (pH 6-8) 5.70 13.78 -45.92 2 6 1 71 484.62 5 ↓
Lo Low (pH 4.5-6) 5.70 14.12 -102.37 3 6 2 72 485.628 5 ↓

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