| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[4-(5-aminopentyl)piperazin-1-yl]azepan-2-one (3S)-3-[4-(5-aminopentyl)piperaz…
| 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) | 0.09 | 2.36 | -95.8 | 5 | 5 | 2 | 64 | 284.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 0.11 | -48.17 | 4 | 5 | 1 | 63 | 283.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.09 | 2.4 | -83.39 | 5 | 5 | 2 | 64 | 284.448 | 6 | ↓ |
