UCSF

ZINC41514623

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-benzofuran (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.60 10.86 -51.64 2 6 1 73 430.48 5 ↓
Hi High (pH 8-9.5) 4.60 9.06 -41.25 0 6 -1 75 428.464 5 ↓
Mid Mid (pH 6-8) 4.60 8.5 -10.09 1 6 0 72 429.472 5 ↓
Mid Mid (pH 6-8) 4.60 11.42 -31.77 1 6 0 76 429.472 5 ↓

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