| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: 2-[4-(5-methyl-2-pyridyl)-1,4-diazepan-1-yl]ethanamine 2-[4-(5-methyl-2-pyridyl)-1,4-di…
| 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) | 0.56 | 4.55 | -80.83 | 4 | 4 | 2 | 48 | 236.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | 4.2 | -46.91 | 3 | 4 | 1 | 47 | 235.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.56 | 6.33 | -183.98 | 5 | 4 | 3 | 49 | 237.371 | 3 | ↓ |
