| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 20 | Yes |
Popular Name: 2-[[2-(3-pyridyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(3-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) | 0.98 | 3.6 | -14.25 | 2 | 5 | 0 | 71 | 286.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 0.98 | -50.07 | 1 | 5 | -1 | 74 | 285.352 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 4.06 | -44.81 | 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-(3-pyridyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/573332.gif)