XlogP

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XLOGP is an atom-additive method for calculating the octanol/water partition coefficient(logP). It gives the logP value for a give compound by summing the contributions from component atoms and correction factors.


Alkaloid XlogP list

  • 0.1 - 6-methoxy-2-methyl-beta-Carboline
  • 0.7 - Beta-carboline, 6-methoxy-1,2-dimethyl-1,2-Dimethyl-2H-beta-carbolin-6-yl methyl ether
  • 0.7 - Mescaline
  • 0.8 - Harmaline
  • 1.0 - 5-HO-Tryptamine (serotonin)
  • 1.3 - 5-HO-DMT N-oxide (Bufotenine N-oxide)
  • 1.6 - 5-HO-DMT (bufotenine)
  • 1.7 - N-Methylserotonin
  • 1.7 - DMT N-oxide (Dimethyltryptamine N-oxide)
  • 1.7 - 5-MeO-NMT (5-Methoxy-N-methyltryptamine)
  • 1.7 - 2-Methyl-1,2,3,4-tetrahydro-beta-carboline
  • 1.8 - NMT (N-Methyltryptamine)
  • 1.9 - 5-MeO-DMT (methoxybufotenin)
  • 1.9 - Tetra−Hydro−Harmine (THH)
  • 2.0 - DMT (Dimethyltryptamine)
  • 2.5 - Harmine

Alkaloid XlogP3 list

  • -1.4 - Muscimol
  • -1.6 - Psilocybin
  • 0.6 - Harmalol
  • 0.7 - Mescaline
  • 1.2 - Harmaline
  • 1.2 - Bufotenine
  • 1.5 - 5-MeO-DMT
  • 1.6 - LSA (ergine)
  • 1.8 - Gramine
  • 1.9 - Tetrahydroharmine
  • 2.0 - DMT N-oxide
  • 2.1 - Psilocin
  • 2.5 - DMT
  • 2.5 - Salvinorin A
  • 2.5 - Elemicin
  • 3.5 - Voacangine
  • 3.6 - Harmine
  • 3.6 - Harman
  • 3.9 - Ibogaine

Lower XlogP values are more water soluble, and higher XlogP values are more non-polar soluble.

Solvent XlogP list


Note error.png Note: Toluene and xylene, will only usually extract alkaloids with an XlogP of about 1.7 or higher. Heptane/naphtha will only extract the highly non-polar alkaloids with an XlogP of about 1.8 or higher (5-MeO-DMT, DMT, and NMT). As the solvent gets more non-polar, it extracts less and less alkaloids. XlogP calculations are never completely accurate and there are always exceptions to these solubility guides.


LogP calculators

There are many logP calculators or predictors available both commercially and for free.

Links


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