UCSF

ZINC41585833

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2E)-6-hydroxy-2-[(4-isopropylphenyl)methylene]-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benz (2E)-6-hydroxy-2-[(4-isopropylph…

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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) 5.51 11.51 -34.18 2 6 1 71 470.593 5 ↓
Hi High (pH 8-9.5) 5.51 11.93 -44.42 0 6 -1 73 468.577 5 ↓
Mid Mid (pH 6-8) 5.51 12.27 -51.34 1 6 0 74 469.585 5 ↓
Mid Mid (pH 6-8) 5.51 11.17 -10 1 6 0 70 469.585 5 ↓
Mid Mid (pH 6-8) 5.51 13.38 -45.95 2 6 1 71 470.593 5 ↓
Lo Low (pH 4.5-6) 5.51 13.72 -102.41 3 6 2 72 471.601 5 ↓

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