Rekker

This Week's Citation Classic

This Week's Citation Classic Rekker R F. The Indrophobic fragmental constant: its derivation and application with a means of characterizing membrane systems.

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CLOGP - C alculate L ogP CLOGP3 User Guide - (last modified ...

To achieve that objective, the program had to be conceived as a 'modeling system' which could operate from one or more easily-revised 'value files' (see Algorithm Manager Section for details). _____ Footnote: Not all fragments in Rekker's table are reduced to a uniform level of ...

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Edendale

Rekker (1995) postulated that it ran along a groundwater divide close to Ota Creek, while others have placed it as far north as Mataura. The boundary proposed by Rekker has been preferred based on observed groundwater level variations which indicate some form of hydraulic divide in the vicinity of Ota Creek.

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QSAR Parameters

Chem. 14, 479 (1979) log P = Σ Σ Σ Σ a i f i (R. Rekker, 1973) Fragment Rekker constant f Leo constant f π π π π benzene H 0.175 0.23 0.00 CH 3 0.702 0.89 0.56 >CH 2 0.530 0.66 >CH- 0.235 0.43 C 6 H 5 1.886 1.90 1.96 C 6 H 4 1.688 C 6 H 3 1.431 log P C 6 H 5 CH 2 CH 2 C 6 H 5 = 2 f C 6 H 5 + 2 f CH 2 = 3.77 + 1.06 = 4.83 (correct) Hydrophobic ...

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HYDROPHOBICITY IN DRUG DESIGN

4 the methyl group is reported. log P CH 3 = log P - log P The following "by fragments" methods was supported by Rekker and Mannhold, who stated that log P can be calculated as the sum of the fragment values plus certain correction factors.