In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2010 | 18 | Yes |
Popular Name: 2-[4-(propylamino)butyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[4-(propylamino)butyl]-[1,2,4]…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.33 | 7.8 | -45.13 | 2 | 5 | 1 | 56 | 249.338 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.