| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N,N-diethyl-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) | 0.09 | 2.72 | -82.08 | 4 | 4 | 2 | 39 | 244.427 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 0.57 | -42.11 | 3 | 4 | 1 | 37 | 243.419 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.09 | 4.72 | -174.02 | 5 | 4 | 3 | 40 | 245.435 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.09 | 4.52 | -173.06 | 5 | 4 | 3 | 40 | 245.435 | 7 | ↓ |
