UCSF

ZINC62977220

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 38 No

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4- (2E)-2-[[4-(diethylamino)phenyl]…

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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) 5.87 15.19 -76.58 3 6 0 63 517.645 7 ↓
Hi High (pH 8-9.5) 5.87 12.84 -10.49 1 6 0 60 515.629 7 ↓
Hi High (pH 8-9.5) 5.87 13.41 -50.1 0 6 -1 63 514.621 7 ↓
Mid Mid (pH 6-8) 5.87 15.75 -60.15 2 6 0 65 516.637 7 ↓
Mid Mid (pH 6-8) 5.87 12.95 -45.81 2 6 0 61 516.637 7 ↓
Mid Mid (pH 6-8) 5.87 15.08 -40.72 2 6 1 61 516.637 7 ↓

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