| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: 2-[4-(3-aminopropyl)piperazin-1-yl]-1-(1-piperidyl)ethanone 2-[4-(3-aminopropyl)piperazin-1-…
| 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) | -0.43 | 3.37 | -94.41 | 4 | 5 | 2 | 56 | 270.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 0.8 | -8.03 | 2 | 5 | 0 | 53 | 268.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 3.08 | -37.2 | 3 | 5 | 1 | 54 | 269.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 3.46 | -109.16 | 4 | 5 | 2 | 56 | 270.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.17 | -48.83 | 3 | 5 | 1 | 54 | 269.413 | 5 | ↓ |
