UCSF

ZINC41584855

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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]-6-hydroxy-4-methyl-2-(4-pyridylmethylene)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) 3.31 9.8 -46.64 2 6 1 71 442.539 5 ↓
Hi High (pH 8-9.5) 3.31 8.07 -41.66 0 6 -1 73 440.523 5 ↓
Mid Mid (pH 6-8) 3.31 9.76 -46.62 2 6 1 71 442.539 5 ↓
Mid Mid (pH 6-8) 3.31 7.5 -9.66 1 6 0 70 441.531 5 ↓
Mid Mid (pH 6-8) 3.31 10.37 -29.16 1 6 0 74 441.531 5 ↓
Lo Low (pH 4.5-6) 3.31 10.28 -104.66 3 6 2 72 443.547 5 ↓

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