| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (2S)-2-[4-(3-aminopropyl)piperazin-1-yl]-N-butyl-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) | 0.18 | 2.17 | -91.66 | 5 | 5 | 2 | 64 | 272.437 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | -0.44 | -7.87 | 3 | 5 | 0 | 62 | 270.421 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 1.82 | -37.36 | 4 | 5 | 1 | 63 | 271.429 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 2.2 | -106.84 | 5 | 5 | 2 | 64 | 272.437 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | -0.07 | -46.34 | 4 | 5 | 1 | 63 | 271.429 | 8 | ↓ |
