Journal ArticleDOI
Partitioning of solutes in different solvent systems: The contribution of hydrogen‐bonding capacity and polarity
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Comparison of the regression coefficients of pi*, beta, and alpha demonstrated the important role that water content at saturation in the organic solvents plays in the partitioning of solutes.About:
This article is published in Journal of Pharmaceutical Sciences.The article was published on 1991-06-01. It has received 167 citations till now. The article focuses on the topics: Solvent & Partition coefficient.read more
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Hydrogen bonding. 32. An analysis of water-octanol and water-alkane partitioning and the Δlog p parameter of seiler
TL;DR: A general linear solvation energy equation has been used to analyze published partition coefficients in the systems water-octanol, water-hexadecane), water-alkane, and water-cyclohexane and shows that solute hydrogen-bond basicity, dipolarity/polarizability and size are significant factors that influence the delta log P parameter.
Journal ArticleDOI
Estimation of blood-brain barrier crossing of drugs using molecular size and shape, and H-bonding descriptors.
TL;DR: It is demonstrated that the polar surface area of a drug can be used as a suitable descriptor for the drugs' H-bonding potential, which offers a modern basis for property-based design and targeting of CNS drugs.
Journal ArticleDOI
iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach.
TL;DR: A physics-based approach is presented that shows a strong linear correlation between the computed solvation free energy in implicit solvents and the experimental log Po/w on a cleansed data set of more than 17,500 molecules.
Journal ArticleDOI
Regulation of protein-ligand binding affinity by hydrogen bond pairing.
Deliang Chen,Numan Oezguen,Petri Urvil,Petri Urvil,Colin Ferguson,Sara M. Dann,Tor C. Savidge,Tor C. Savidge +7 more
TL;DR: H-bonds enhance receptor-ligand interactions when both the donor and acceptor have either significantly stronger or significantly weaker H-bonding capabilities than the hydrogen and oxygen atoms in water, demonstrating a new conceptual framework to evaluate the H- bonding process in biological systems.
Journal ArticleDOI
Hydrogen bonding. 31. Construction of a scale of solute effective or summation hydrogen‐bond basicity
TL;DR: In this article, the β scale of solute hydrogen-bond basicity, formulated from 1:1 hydrogenbond complexation constants in tetrachloromethane, has been used to set up a scale of effective or summation hydrogen-base basicity appropriate for the situation in which a solute is surrounded by solvent molecules.
References
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Book
Substituent constants for correlation analysis in chemistry and biology
Corwin Hansch,Albert J. Leo +1 more
TL;DR: In this paper, the book is the window to get in the world and you can open the world easily, and these wise words are really familiar with you, so bring home now the book enPDFd substituent constants for correlation analysis in chemistry and biology to be your sources when going to read.
Journal ArticleDOI
Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, .pi.*, .alpha., and .beta., and some methods for simplifying the generalized solvatochromic equation
TL;DR: In this article, a table of donnees (pour de nombreux solvants) des valeurs des parametres M*, α and β donnant respectivement la polarisabilite du solvant, son pouvoir de donneur de proton, and d'accepteur de protons dans les liaisons hydrogene solute-solvant
Organic solvents: physical properties and methods of purification. Fourth edition
TL;DR: This new edition comes 16 years after the previous one, and it has about 30% more pages The format remains the same: tables of compounds arranged by structural type list all manner of useful properties, including not only melting and boiling points but density, refractive index, heat capacity, dielectric constant, etc as discussed by the authors.
Book
Organic Solvents: Physical Properties and Methods of Purification
TL;DR: In this paper, a discussion of properties and criteria for their selection is presented. Butler et al. present a set of criteria for purity of solvents, including deterministic and deterministic methods.
Book
Advances in Drug Research
TL;DR: The concept of emergence dissolvence in drug research, B. Testa, S. Batra and A.P. Bhaduri.