| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[4-(3-aminopropyl)piperazin-1-yl]-N-pentyl-propanamide (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) | 0.69 | 2.95 | -91.83 | 5 | 5 | 2 | 64 | 286.464 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 0.34 | -8.13 | 3 | 5 | 0 | 62 | 284.448 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 2.6 | -37.46 | 4 | 5 | 1 | 63 | 285.456 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 2.98 | -106.95 | 5 | 5 | 2 | 64 | 286.464 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 0.71 | -46.41 | 4 | 5 | 1 | 63 | 285.456 | 9 | ↓ |
