| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 15 | Yes |
Popular Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamine 2-[4-(2-aminoethyl)-1,4-diazepan…
| 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) | -0.66 | 0.88 | -90.15 | 4 | 4 | 2 | 39 | 216.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -1.12 | -42.48 | 3 | 4 | 1 | 37 | 215.365 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.66 | 3.34 | -173.2 | 5 | 4 | 3 | 40 | 217.381 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.66 | 3.17 | -173.44 | 5 | 4 | 3 | 40 | 217.381 | 5 | ↓ |
