| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 26 | Yes |
Popular Name: (4aS)-3-[5-(4-pyridyl)pentyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aS)-3-[5-(4-pyridyl)pentyl]-2,…
| 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) | 2.72 | 9.21 | -46.04 | 2 | 5 | 1 | 50 | 351.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 6.94 | -9.34 | 1 | 5 | 0 | 48 | 350.466 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 9.67 | -87.58 | 3 | 5 | 2 | 51 | 352.482 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one](http://zinc12.docking.org/img/rings/24722.gif)
![3-[5-(4-pyridyl)pentyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one](http://zinc12.docking.org/img/rings/197581.gif)