| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 19 | Yes |
Popular Name: 4-[4-[(2R)-2-ethylhexyl]piperazin-1-yl]butan-1-amine 4-[4-[(2R)-2-ethylhexyl]piperazi…
| 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) | 2.77 | 6.6 | -86.26 | 4 | 3 | 2 | 35 | 271.493 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 4.65 | -41.24 | 3 | 3 | 1 | 34 | 270.485 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.9 | -96.35 | 4 | 3 | 2 | 35 | 271.493 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 8.88 | -189.78 | 5 | 3 | 3 | 37 | 272.501 | 10 | ↓ |
