| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one 1-[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) | 0.60 | 3.67 | -47.65 | 3 | 4 | 1 | 51 | 242.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 5.46 | -122.1 | 4 | 4 | 2 | 52 | 243.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 5.07 | -37.93 | 3 | 4 | 1 | 51 | 242.387 | 4 | ↓ |
