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Dimorphite-DL — Vecura
Dimorphite-DL
Dimorphite-DL is a fast, open-source program for enumerating the ionization (protonation) state variants of drug-like small molecules over a specified pH range.
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
pH
pH
Configure input settings on the left, then click "Run"
