UCSF

ZINC41584888

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(2,5-dimethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-on (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) 4.26 9.57 -42.87 2 7 1 77 487.576 7 ↓
Hi High (pH 8-9.5) 4.26 7.85 -46.27 0 7 -1 78 485.56 7 ↓
Mid Mid (pH 6-8) 4.26 10.14 -28.62 1 7 0 79 486.568 7 ↓
Mid Mid (pH 6-8) 4.26 7.28 -11.71 1 7 0 75 486.568 7 ↓
Mid Mid (pH 6-8) 4.26 9.53 -46.53 2 7 1 77 487.576 7 ↓

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