UCSF

ZINC41584880

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-[(2-fluorophenyl)methylene]-6-hydroxy-benzofuran-3-one (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) 4.34 10.63 -45.91 2 5 1 58 445.514 5 ↓
Hi High (pH 8-9.5) 4.34 9.15 -41.15 0 5 -1 60 443.498 5 ↓
Mid Mid (pH 6-8) 4.34 11.41 -29.9 1 5 0 61 444.506 5 ↓
Mid Mid (pH 6-8) 4.34 8.38 -8.45 1 5 0 57 444.506 5 ↓
Mid Mid (pH 6-8) 4.34 10.65 -48.18 2 5 1 58 445.514 5 ↓

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