UCSF

ZINC41585891

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Substance Information

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

Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-2-[(2-ethoxyphenyl)methylen…

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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) 4.00 9.26 -37.07 2 7 1 80 458.538 6 ↓
Hi High (pH 8-9.5) 4.00 9.8 -44.63 0 7 -1 82 456.522 6 ↓
Mid Mid (pH 6-8) 4.00 9.04 -10.98 1 7 0 79 457.53 6 ↓
Mid Mid (pH 6-8) 4.00 11.47 -109.57 3 7 2 81 459.546 6 ↓
Lo Low (pH 4.5-6) 4.00 11.25 -48.99 2 7 1 80 458.538 6 ↓

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