| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 24 | Yes |
Popular Name: 2-[(isopentylamino)methyl]-5-(o-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(isopentylamino)methyl]-5-(o-…
| 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) | 4.18 | 9.03 | -56.43 | 3 | 4 | 1 | 62 | 342.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 6.66 | -44.35 | 2 | 4 | 0 | 65 | 341.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 7.67 | -10.27 | 2 | 4 | 0 | 58 | 341.48 | 6 | ↓ |
![3H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/3143.gif)
![5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/24418.gif)
