UCSF

ZINC41584634

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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

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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) 4.61 11.8 -39.72 2 5 1 68 427.524 4 ↓
Hi High (pH 8-9.5) 4.61 10.58 -45.76 0 5 -1 69 425.508 4 ↓
Mid Mid (pH 6-8) 4.61 9.8 -8.55 1 5 0 67 426.516 4 ↓
Mid Mid (pH 6-8) 4.61 12.56 -33.58 1 5 0 71 426.516 4 ↓

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