The acid/base profile of agrochemicals

D. T. Manallack

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)

Abstract

Drug-likeness has long been studied in the pursuit of finding new medicines. Similarly, in the agrochemical field there is value in exploring the properties of the chemicals involved. Patterns that emerge can potentially influence future discovery campaigns to improve the probability of commercial success. In this study we investigate the acid/base properties and physicochemical characteristics of three classes of compounds: fungicides, herbicides and insecticides. In comparison with FDA-approved drugs, it was noted that the pesticides were generally smaller, possessed a neutral charge state and were more lipophilic. The results are discussed in the light of their intended targets.

Original languageEnglish
Pages (from-to)621-628
Number of pages8
JournalSAR and QSAR in Environmental Research
Volume28
Issue number8
DOIs
Publication statusPublished - 12 Aug 2017

Keywords

  • fungicides
  • herbicides
  • insecticides
  • ionization constant
  • pK

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