Literature DB >> 11348133

Hydrogen bond structural group constants.

M H Abraham1, J A Platts.   

Abstract

The ability of functional groups to act as hydrogen bond acids and bases can be obtained from either equilibrium constants for 1:1 hydrogen bonding or overall hydrogen bond constants. Either method leads to structural constants for hydrogen bonding that in some way are analogous to substituent constants. Extensive lists of these functional group constants are reported. It is shown that those derived from overall hydrogen bond constants are the more useful in analyses of physicochemical and biochemical properties.

Entities:  

Year:  2001        PMID: 11348133     DOI: 10.1021/jo001765s

Source DB:  PubMed          Journal:  J Org Chem        ISSN: 0022-3263            Impact factor:   4.354


  17 in total

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2.  Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures.

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Authors:  Elizabeth A Mader; Ernest R Davidson; James M Mayer
Journal:  J Am Chem Soc       Date:  2007-04-03       Impact factor: 15.419

4.  Characterization of a novel pyridinium bromide surface confined ionic liquid stationary phase for high-performance liquid chromatography under normal phase conditions via linear solvation energy relationships.

Authors:  D S Van Meter; O D Stuart; A B Carle; A M Stalcup
Journal:  J Chromatogr A       Date:  2008-02-20       Impact factor: 4.759

5.  Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effects.

Authors:  Andrei L Lomize; Irina D Pogozheva; Henry I Mosberg
Journal:  J Chem Inf Model       Date:  2011-03-25       Impact factor: 4.956

6.  Tuning of hydrogen bond strength using substituents on phenol and aniline: a possible ligand design strategy.

Authors:  Jóhannes Reynisson; Edward McDonald
Journal:  J Comput Aided Mol Des       Date:  2004-06       Impact factor: 3.686

Review 7.  A medicinal chemist's guide to molecular interactions.

Authors:  Caterina Bissantz; Bernd Kuhn; Martin Stahl
Journal:  J Med Chem       Date:  2010-07-22       Impact factor: 7.446

8.  Trends in ground-state entropies for transition metal based hydrogen atom transfer reactions.

Authors:  Elizabeth A Mader; Virginia W Manner; Todd F Markle; Adam Wu; James A Franz; James M Mayer
Journal:  J Am Chem Soc       Date:  2009-04-01       Impact factor: 15.419

9.  Structural determinants of drug partitioning in surrogates of phosphatidylcholine bilayer strata.

Authors:  Viera Lukacova; Senthil Natesan; Ming Peng; Roman Tandlich; Zhanbin Wang; Sandra Lynch; Rajesh Subramaniam; Stefan Balaz
Journal:  Mol Pharm       Date:  2013-09-11       Impact factor: 4.939

10.  Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 6: Opioid receptor binding properties of cyclic variants of 8-carboxamidocyclazocine.

Authors:  Mark P Wentland; Xufeng Sun; Dana J Cohen; Jean M Bidlack
Journal:  Bioorg Med Chem       Date:  2008-03-30       Impact factor: 3.641

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