UCSF

ZINC41584625

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Popular Name: (2Z)-2-(2-furylmethylene)-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-hydr…

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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) 3.44 9.97 -40.73 2 6 1 81 403.458 4 ↓
Hi High (pH 8-9.5) 3.44 8.75 -49.62 0 6 -1 83 401.442 4 ↓
Mid Mid (pH 6-8) 3.44 8.11 -10.77 1 6 0 80 402.45 4 ↓
Mid Mid (pH 6-8) 3.44 10.65 -35.49 1 6 0 84 402.45 4 ↓

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