| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethyl-butan-1-one 1-[4-(3-aminopropyl)-1,4-diazepa…
| 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) | 1.03 | 6.03 | -113.84 | 4 | 4 | 2 | 52 | 257.422 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 4.23 | -48.81 | 3 | 4 | 1 | 51 | 256.414 | 6 | ↓ |
