Estimation of Lipophilicity by Reversed Phase Thin Layer Chromatography

Raimund Mannhold, Karl Dross and Christoph Sonntag

Abbreviations

ASCLOGP Conformation-dependent log P, based on approximate surface calculation

KLOGP Calculated log P values, based on fragmental contributions

CHEMICALC-2 Computer program to calculate log P, based on atomic contributions

CLOGP Calculated log P values, based on fragmental contributions

HINT Computer program to calculate log P, based on atomic contributions

HPLC High-performance liquid chromatography

ODS Octadecylsilane

QSAR Quantitative structure-activity relationships

RP-HPLC Reversed-phase high-performance liquid chromatography

RP-TLC Reversed-phase thin-layer chromatography

2f Calculated log P values, based on fragmental contributions

SMILOGP Computer program to calculate log P, based on atomic contributions

TLC Thin-layer chromatography Symbols a X ¡3 Product of hydrogen-bond donor and acceptor capacity

¡3 Hydrogen-bond acceptor capacity

RP Retention factor in TLC

Rm Linear physico-chemical descriptor in TLC

RMw /?M-values, extrapolated to modifier-free conditions log A:' Logarithm of the isocratic capacity factor log/cw Logarithm of the polycratic (extrapolated) capacity factor log Poet 1-octanol/water partition coefficient cp Fraction of the modifier in binary solvent mixtures

1p Fraction of water in binary solvent mixtures

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