The logP value is a constant defined in the following manner: LogP = log10 (Partition Coefficient) Partition Coefficient, P = [organic]/[aqueous] Where [ ] indicates the concentration of solute in the organic and aqueous partition.
Chemicals with high partition coefficients, for example, tend to accumulate in the fatty tissue of organisms (bioaccumulation). Under the Stockholm Convention, chemicals with a log Kowgreater than 5 are considered to bioaccumulate.
unit of measure called the partition coefficient. The greater the solubility of a substance, the higher its partition coefficient, and the higher the partition coefficient, the higher the permeability of the membrane to that particular substance.
miLogP is a model used by the ZINC database. May I use your service in my medicinal chemistry / cheminformatics / QSAR class? Yes, feel free to do so. Both our property prediction service and molecular database search service are used already in such classes at several leading universities.
Lipophilicity is a valuable parameter of the drug which affects its activity in the human body. The Log P value of the compound indicates the permeability of the drugs to reach the target tissue in the body.
Kd or Koc measures the mobility of a substance in soil. A very high value means it is strongly adsorbed onto soil and organic matter and does not move throughout the soil. Koc is a very important input parameter for estimating environmental distribution and environmental exposure level of a chemical substance.
Octanol-water partition ratio is the most common way of expressing the lipophilicity of a compound, and it is defined as the ratio of the concentration of a solute in a water-saturated octanolic phase to its concentration in an octanol-saturated aqueous phase.
: any of four liquid alcohols C8H17OH derived from normal octane: such as. a : the primary alcohol CH3(CH2)6CH2OH having a penetrating odor, occurring free or in the form of esters in oils from plant seeds and fruits, and used chiefly in organic synthesis and in perfumes.
The octanol-air partition coefficient (K(OA)) is useful for predicting the partitioning behavior of organic compounds between air and environmental matrices such as soil, vegetation, and aerosol particles. At present, experimentally determined K(OA) values are available for only several hundred compounds.
Octanol is insoluble in water, and the n-octanol/water two phase system is an important reference for the partition of pharmaceutical compounds between polar and nonpolar tissues [35].
Chemicals with low Kow values (e.g., less than 10) may be considered relatively hydrophilic; they tend to have high water solubilities, small soil/sediment adsorption coefficients, and small bioconcentration factors for aquatic life.
The lipid/water partition coefficient denotes the ratio of the concentration of a drug in two immiscible or slightly miscible phases.
2-Octanol is mainly used as: Flavor. low-volatility solvent : Diverses Resins (Paints & Coatings, Adhesives, Inks, etc.), Agrochemicals, Mineral Extraction, etc. Defoaming agent : Pulp & Paper, Oil & Gas, Cement, Coatings, Coal, etc.
If one of the solvents is a gas and the other a liquid, a gas/liquid partition coefficient can be determined. For example, the blood/gas partition coefficient of a general anesthetic measures how easily the anesthetic passes from gas to blood.
1.2 Partition Coefficient. Method development efforts such as increasing the vial temperature, salting out, and adjusting the pH are often geared toward reducing the partition coefficient. K is related to more than the vapor pressure of the analyte; its solubility in the sample phase is also important.
The partition coefficients of small and hydrophilic proteins like lysozyme and chymotrypsinogen-A are only slightly affected by changes in temperature, while the partition coefficients of bigger and more hydrophobic proteins like albumin and catalase are strongly affected by changes in temperature.
The blood:gas partition coefficient is an important determinant of the speed of anesthetic induction and recovery. It describes the partition of an agent between a gaseous phase, such as alveolar air, and the blood. The greater the blood:gas partition coefficient, the greater the solubility in blood.
The partition coefficient is the measure of the lipophilicity of a drug and an indication of its ability to cross the cell membrane. It is defined as the ratio between un-ionized drug distributed between the organic and aqueous layers at equilibrium.
in principle partition coefficient should not change with the change in concentration but in practice one may observe the change because the drug molecules often get self associated particularly in conc. soln.
