| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: 3-[4-(2-dimethylaminoethyl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(2-dimethylaminoethyl)-1,4-…
| 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) | -0.39 | 1.65 | -86.82 | 4 | 4 | 2 | 39 | 230.4 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | -0.36 | -42.12 | 3 | 4 | 1 | 37 | 229.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 4.13 | -169.52 | 5 | 4 | 3 | 40 | 231.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 3.95 | -163.4 | 5 | 4 | 3 | 40 | 231.408 | 6 | ↓ |
