| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 28 | No |
| 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) | 0.64 | 5.3 | -11.87 | 2 | 8 | 0 | 108 | 375.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 3.43 | -47.75 | 1 | 8 | -1 | 111 | 374.38 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 5.76 | -49.77 | 3 | 8 | 1 | 109 | 376.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/17138.gif)
![2-keto-2-[4-keto-2-(4-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]-N-phenyl-acetamide](http://zinc12.docking.org/img/rings/26362.gif)