Aphgal

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Aphgal stable oxygenation prediction

Aphgal unstable oxygenation prediction

Aphgal dehydrogenation prediction

Aphgal reduction prediction

Aphgal hydrolysis prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCS[S+]([O-])CCCCCCCCCCCCCCC(=O)OCC1OC(Oc2ccccc2)C(O)C(O)C1O Quinonation prediction

Generation 2

Select a metabolite to form the next generation.