QSAR & QSPR
QSAR & QSPR
QSAR & QSPR
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logD – The Calculation• LogD may simply be calculated from predicted logPand pK a of the singly ionized species at certain pH:• For acids:logD (pH) = logP – log[1 + 10 (pH - pK a)]• For bases:logD (pH) = logP – log[1 + 10 (pK a -pH)]