UCSF

ZINC41585885

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Substance Information

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

Popular Name: (2E)-2-[(2,5-dimethoxyphenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran- (2E)-2-[(2,5-dimethoxyphenyl)met…

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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) 3.66 7.59 -36.52 2 8 1 90 474.537 6 ↓
Hi High (pH 8-9.5) 3.66 8 -47.82 0 8 -1 91 472.521 6 ↓
Mid Mid (pH 6-8) 3.66 7.24 -13.42 1 8 0 88 473.529 6 ↓
Mid Mid (pH 6-8) 3.66 9.8 -103.28 3 8 2 91 475.545 6 ↓
Lo Low (pH 4.5-6) 3.66 9.46 -48.06 2 8 1 89 474.537 6 ↓

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