| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(5-methylpyrazin-2-yl)methyl…
None
| 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) | 0.56 | 1.52 | -16.4 | 2 | 6 | 0 | 84 | 287.348 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | -1.11 | -52.06 | 1 | 6 | -1 | 87 | 286.34 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 0.25 | -53.15 | 2 | 6 | 0 | 91 | 287.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 2.89 | -60.77 | 3 | 6 | 1 | 88 | 288.356 | 4 | ↓ |
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-[(pyrazin-2-ylmethylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/210293.gif)