| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: 3-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(2-pyridylmethyl)-1,4-diaze…
| 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) | -0.19 | 1.98 | -44.5 | 3 | 4 | 1 | 47 | 249.382 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | 4.05 | -104.85 | 4 | 4 | 2 | 48 | 250.39 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | 3.97 | -162.5 | 5 | 4 | 3 | 49 | 251.398 | 5 | ↓ |
