| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 22 | Yes |
Popular Name: 2-[[methyl-[(1S)-1-(p-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[methyl-[(1S)-1-(p-tolyl)ethy…
| 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) | 3.06 | 7.41 | -11.86 | 1 | 4 | 0 | 49 | 313.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 6.69 | -44.07 | 1 | 4 | 0 | 53 | 313.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 9.39 | -49.91 | 2 | 4 | 1 | 50 | 314.434 | 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-[(benzylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/33896.gif)