UCSF

ZINC41585870

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Substance Information

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

Popular Name: (2E)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl (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) 4.85 12 -91.54 3 7 0 75 500.643 7 ↓
Hi High (pH 8-9.5) 4.85 12.3 -47.09 0 7 -1 76 497.619 7 ↓
Hi High (pH 8-9.5) 4.85 11.54 -11.24 1 7 0 73 498.627 7 ↓
Mid Mid (pH 6-8) 4.85 13.85 -80.24 3 7 0 75 500.643 7 ↓
Mid Mid (pH 6-8) 4.85 11.64 -44.52 2 7 0 74 499.635 7 ↓
Lo Low (pH 4.5-6) 4.85 14.2 -83.94 4 7 0 77 501.651 7 ↓

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