| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 17 | Yes |
Popular Name: (2S)-2-(3-aminopropyl-methyl-amino)-1-(azepan-1-yl)propan-1-one (2S)-2-(3-aminopropyl-methyl-ami…
| 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) | 0.51 | 3.06 | -49.05 | 3 | 4 | 1 | 51 | 242.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 4.94 | -34.28 | 3 | 4 | 1 | 51 | 242.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 2.7 | -8.87 | 2 | 4 | 0 | 50 | 241.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 5.32 | -105.83 | 4 | 4 | 2 | 52 | 243.395 | 5 | ↓ |
