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ObjectivesThis study aimed at measuring the lipophilicity and ionization constants of diastereoisomeric dipeptides, interpreting them in terms of conformational behavior, and developing statistical models to predict them.
MethodsA series of 20 dipeptides of general structure NH2‐L‐X‐(L or D)‐His‐OMe was designed and synthetized. Their experimental ionization constants (pK1, pK2 and pK3) and lipophilicity...
Purpose. The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition forces and intramolecular interactions. Methods. The interest and applications of the MLP in molecular modeling are varied, as ilustrated here. Results. The MLP is a major tool to assess the dependence of lipophilicity on...
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