| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: 3-[4-(2-diethylaminoethyl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(2-diethylaminoethyl)-1,4-d…
| 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) | 0.36 | 3.48 | -81.61 | 4 | 4 | 2 | 39 | 258.454 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 1.34 | -41.86 | 3 | 4 | 1 | 37 | 257.446 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 3.36 | -87.38 | 4 | 4 | 2 | 39 | 258.454 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 5.51 | -170.98 | 5 | 4 | 3 | 40 | 259.462 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 5.3 | -162.86 | 5 | 4 | 3 | 40 | 259.462 | 8 | ↓ |
