| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: 2-[[2-(2-thienyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(2-thienyl)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) | 2.11 | 4.48 | -12.36 | 2 | 4 | 0 | 58 | 291.401 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 1.87 | -48.63 | 1 | 4 | -1 | 61 | 290.393 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 5.85 | -59.52 | 3 | 4 | 1 | 62 | 292.409 | 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-thienyl)ethylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/566922.gif)