| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 22 | Yes |
Popular Name: 1-[[1-[2-(4-pyridyl)ethyl]-4-piperidyl]methyl]azepane 1-[[1-[2-(4-pyridyl)ethyl]-4-pip…
| 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) | 3.07 | 11.76 | -105.78 | 2 | 3 | 2 | 22 | 303.494 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 9.51 | -37.58 | 1 | 3 | 1 | 21 | 302.486 | 5 | ↓ |
