| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 19 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-2-[2-dimethylaminoethyl(propyl)amino]ethanone 1-(1,4-diazepan-1-yl)-2-[2-dimet…
| 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) | 0.17 | 4.94 | -94.75 | 3 | 5 | 2 | 45 | 272.437 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 5.41 | -83.62 | 3 | 5 | 2 | 45 | 272.437 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 7.39 | -184.34 | 4 | 5 | 3 | 46 | 273.445 | 7 | ↓ |
