| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: 3-[4-(5-methyl-2-pyridyl)-1,4-diazepan-1-yl]propan-1-amine 3-[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) | 0.83 | 5.31 | -78.46 | 4 | 4 | 2 | 48 | 250.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 4.97 | -46.19 | 3 | 4 | 1 | 47 | 249.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 7.11 | -172.2 | 5 | 4 | 3 | 49 | 251.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 6.75 | -112.31 | 4 | 4 | 2 | 48 | 250.39 | 4 | ↓ |
