| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: (2R)-2-[4-(3-aminopropyl)piperazin-1-yl]-1-(azepan-1-yl)propan-1-one (2R)-2-[4-(3-aminopropyl)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) | 0.40 | 4.69 | -89.95 | 4 | 5 | 2 | 56 | 298.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 1.87 | -7.58 | 2 | 5 | 0 | 53 | 296.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 2.24 | -48.19 | 3 | 5 | 1 | 54 | 297.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 4.13 | -35.77 | 3 | 5 | 1 | 54 | 297.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 4.52 | -108.04 | 4 | 5 | 2 | 56 | 298.475 | 5 | ↓ |
