UCSF

ZINC41584876

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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-[(4-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) 4.38 10.64 -43.44 2 5 1 58 445.514 5 ↓
Hi High (pH 8-9.5) 4.38 9.18 -41.78 0 5 -1 60 443.498 5 ↓
Mid Mid (pH 6-8) 4.38 11.45 -27.83 1 5 0 61 444.506 5 ↓
Mid Mid (pH 6-8) 4.38 8.41 -8.66 1 5 0 57 444.506 5 ↓
Mid Mid (pH 6-8) 4.38 10.68 -45.9 2 5 1 58 445.514 5 ↓

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