| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 21 | Yes |
Popular Name: 2-[[[(1R)-1-(2-thienyl)butyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(2-thienyl)butyl]ami…
| 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) | 3.33 | 5.27 | -25.09 | 2 | 4 | 0 | 58 | 319.455 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 3.2 | -49.45 | 1 | 4 | -1 | 61 | 318.447 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 6.7 | -54.58 | 3 | 4 | 1 | 62 | 320.463 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 4.58 | -44.38 | 2 | 4 | 0 | 65 | 319.455 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/15255.gif)
![2-[(2-thenylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/582814.gif)