UCSF

ZINC41584918

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Substance Information

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

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-benzofuran-3-one (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.11 9.29 -45.37 2 7 1 77 471.533 5 ↓
Hi High (pH 8-9.5) 4.11 7.8 -42.06 0 7 -1 78 469.517 5 ↓
Mid Mid (pH 6-8) 4.11 9.29 -48.72 2 7 1 77 471.533 5 ↓
Mid Mid (pH 6-8) 4.11 10.06 -29.9 1 7 0 79 470.525 5 ↓
Mid Mid (pH 6-8) 4.11 7.04 -9.85 1 7 0 75 470.525 5 ↓

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