| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: (2S)-1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one (2S)-1-[4-(4-aminobutyl)-1,4-dia…
| 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) | 2.36 | 8.36 | -104.96 | 4 | 4 | 2 | 52 | 299.503 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 6.56 | -47.7 | 3 | 4 | 1 | 51 | 298.495 | 9 | ↓ |
