| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 26 | Yes |
Popular Name: (11bS)-2-[4-(3-pyridyl)butanoyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (11bS)-2-[4-(3-pyridyl)butanoyl]…
| 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) | 1.81 | 9.1 | -15 | 0 | 5 | 0 | 54 | 349.434 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 9.56 | -40.3 | 1 | 5 | 1 | 55 | 350.442 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one](http://zinc12.docking.org/img/rings/437.gif)
![2-[4-(3-pyridyl)butanoyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one](http://zinc12.docking.org/img/rings/119253.gif)