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PSA is a commonly used medicinal chemistry metric for the optimization of a drug's ability to permeate cells. Molecules with a polar surface area of greater than 140 angstroms squared (Å 2) tend to be poor at permeating cell membranes. [1] For molecules to penetrate the blood–brain barrier (and thus act on receptors in the central nervous ...
Points in the polar coordinate system with pole O and polar axis L. In green, the point with radial coordinate 3 and angular coordinate 60 degrees or (3, 60°). In blue, the point (4, 210°). In mathematics, the polar coordinate system specifies a given point in a plane by using a distance and an angle as its two coordinates. These are
Organic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. [1]
Conversely, the polar line (or polar) of a point Q in a circle C is the line L such that its closest point P to the center of the circle is the inversion of Q in C. If a point A lies on the polar line q of another point Q, then Q lies on the polar line a of A. More generally, the polars of all the points on the line q must pass through its pole Q.
This glossary of chemistry terms is a list of terms and definitions relevant to chemistry, including chemical laws, diagrams and formulae, laboratory tools, glassware, and equipment. Chemistry is a physical science concerned with the composition, structure, and properties of matter , as well as the changes it undergoes during chemical reactions ...
By definition, the syntax (hkℓ) denotes a plane that intercepts the three points a 1 /h, a 2 /k, and a 3 /ℓ, or some multiple thereof. That is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell (in the basis of the lattice vectors).
The coordinate systems chosen for orbitals are usually spherical coordinates (r, θ, φ) in atoms and Cartesian (x, y, z) in polyatomic molecules. The advantage of spherical coordinates here is that an orbital wave function is a product of three factors each dependent on a single coordinate: ψ(r, θ, φ) = R(r) Θ(θ) Φ(φ).
Accessible surface area is often used when calculating the transfer free energy required to move a biomolecule from an aqueous solvent to a non-polar solvent, such as a lipid environment. The LCPO method is also used when calculating implicit solvent effects in the molecular dynamics software package AMBER .