| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2010 | 25 | Yes |
Popular Name: 2-[2-[4-[[butyl(methyl)amino]methyl]-1-piperidyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[4-[[butyl(methyl)amino]met…
| 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) | 2.75 | 12.72 | -98.5 | 2 | 6 | 2 | 48 | 347.507 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 10.48 | -43.61 | 1 | 6 | 1 | 47 | 346.499 | 8 | ↓ |
