| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: 2-[[2-(2-pyridyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(2-pyridyl)ethylamino]meth…
| 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) | 1.04 | 3.6 | -13.41 | 2 | 5 | 0 | 71 | 286.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 0.98 | -51.59 | 1 | 5 | -1 | 74 | 285.352 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 5.32 | -122.87 | 4 | 5 | 2 | 76 | 288.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 4.95 | -56.58 | 3 | 5 | 1 | 75 | 287.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 3.95 | -43.11 | 3 | 5 | 1 | 72 | 287.368 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/4166.gif)
![2-[[2-(2-pyridyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/566933.gif)