| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 24 | Yes |
Popular Name: (4aS)-3-[3-(4-pyridyl)propyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (4aS)-3-[3-(4-pyridyl)propyl]-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) | 1.94 | 5.38 | -9.2 | 1 | 5 | 0 | 48 | 322.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 7.65 | -48.14 | 2 | 5 | 1 | 50 | 323.42 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 8.11 | -96.6 | 3 | 5 | 2 | 51 | 324.428 | 4 | ↓ |
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-[3-(4-pyridyl)propyl]-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one](http://zinc12.docking.org/img/rings/197587.gif)