UCSF

ZINC41584925

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Substance Information

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

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(4-dimethylaminophenyl)methylene]-6-hydroxy-benzofuran-3- (2Z)-7-[(4-benzylpiperazin-1-yl)…

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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) 4.32 11.32 -45.53 2 6 1 61 470.593 6 ↓
Hi High (pH 8-9.5) 4.32 9.6 -44.99 0 6 -1 63 468.577 6 ↓
Mid Mid (pH 6-8) 4.32 9.03 -10.28 1 6 0 60 469.585 6 ↓
Mid Mid (pH 6-8) 4.32 11.28 -46.73 2 6 1 61 470.593 6 ↓
Mid Mid (pH 6-8) 4.32 11.9 -30.77 1 6 0 64 469.585 6 ↓
Lo Low (pH 4.5-6) 4.32 12.08 -106.36 3 6 0 63 471.601 6 ↓

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