| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 19 | Yes |
Popular Name: 2-[[(1-methyl-4-piperidyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(1-methyl-4-piperidyl)amino]…
| 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) | 0.83 | 4.01 | -46.69 | 3 | 5 | 1 | 62 | 279.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 2.56 | -97.84 | 3 | 5 | 1 | 70 | 279.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 1.38 | -65.65 | 2 | 5 | 0 | 65 | 278.381 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 2.81 | -54.52 | 3 | 5 | 1 | 66 | 279.389 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 5.19 | -123.15 | 4 | 5 | 2 | 67 | 280.397 | 3 | ↓ |
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-[(4-piperidylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/553444.gif)