| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 27 | Yes |
| 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) | 0.98 | 7.35 | -47.22 | 2 | 7 | 1 | 83 | 366.445 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.5 | -64.54 | 1 | 7 | 0 | 86 | 365.437 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 7.81 | -98.15 | 3 | 7 | 2 | 85 | 367.453 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-azabicyclo[2.2.1]heptane](http://zinc12.docking.org/img/rings/5369.gif)
![5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/17138.gif)
![7-[2-(5-azabicyclo[2.2.1]heptan-5-yl)acetyl]-2-(3-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/66687.gif)