| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 24 | Yes |
Popular Name: (4aS)-8-fluoro-3-[2-(4-pyridyl)ethyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aS)-8-fluoro-3-[2-(4-pyridyl)e…
| 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) | 1.56 | 4.66 | -9.63 | 1 | 5 | 0 | 48 | 326.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 5.12 | -39.17 | 2 | 5 | 1 | 50 | 327.383 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 6.95 | -54.58 | 2 | 5 | 1 | 50 | 327.383 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 7.4 | -106.68 | 3 | 5 | 2 | 51 | 328.391 | 3 | ↓ |
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-[2-(4-pyridyl)ethyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one](http://zinc12.docking.org/img/rings/197583.gif)