| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: 5,6-dimethyl-2-[[[(1R)-1-(3-thienyl)ethyl]amino]methyl]-1H-thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-2-[[[(1R)-1-(3-thie…
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) | 2.55 | 5.33 | -18.79 | 2 | 4 | 0 | 58 | 319.455 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 6.52 | -59.21 | 3 | 4 | 1 | 62 | 320.463 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/13361.gif)
![2-[(3-thenylamino)methyl]-1H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/211943.gif)