| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2010 | 15 | Yes |
Popular Name: 1-[4-[3-(methylamino)propyl]-1,4-diazepan-1-yl]ethanone 1-[4-[3-(methylamino)propyl]-1,4…
| 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) | -0.08 | 5.46 | -109.21 | 3 | 4 | 2 | 41 | 215.341 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 3.65 | -45.32 | 2 | 4 | 1 | 40 | 214.333 | 4 | ↓ |
