UCSF

ZINC41585168

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[(4-phenylpiperazin-1-yl)methyl]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) 4.41 7.96 -10.66 1 7 0 75 456.498 4 ↓
Mid Mid (pH 6-8) 4.41 8.73 -41.38 0 7 -1 78 455.49 4 ↓
Mid Mid (pH 6-8) 4.41 10.19 -52.51 2 7 1 77 457.506 4 ↓
Mid Mid (pH 6-8) 4.41 10.95 -31.75 1 7 0 79 456.498 4 ↓

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