| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[4-(3-aminopropyl)piperazin-1-yl]-1-(azepan-1-yl)propan-1-one (2S)-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 | 4.7 | -91.6 | 4 | 5 | 2 | 56 | 298.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 2.17 | -7.92 | 2 | 5 | 0 | 53 | 296.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 2.54 | -48.93 | 3 | 5 | 1 | 54 | 297.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 4.45 | -37.53 | 3 | 5 | 1 | 54 | 297.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 4.83 | -110.16 | 4 | 5 | 2 | 56 | 298.475 | 5 | ↓ |
