| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: 2-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-2-hydroxy-1-phenyl-eth…
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) | 1.36 | 3.48 | -55.51 | 4 | 5 | 1 | 83 | 302.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 0.86 | -48.56 | 3 | 5 | 0 | 86 | 301.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | -0.33 | -52.03 | 2 | 5 | -1 | 81 | 300.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 2.3 | -14.41 | 3 | 5 | 0 | 78 | 301.371 | 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-[(benzylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/33896.gif)