| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 22 | Yes |
Popular Name: 2-[[(5-ethyl-2-methyl-pyrimidin-4-yl)-methyl-amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(5-ethyl-2-methyl-pyrimidin-…
| 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) | 1.53 | 7.18 | -16.29 | 1 | 6 | 0 | 75 | 315.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.42 | -57.35 | 0 | 6 | -1 | 78 | 314.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 7.64 | -44.97 | 2 | 6 | 1 | 76 | 316.41 | 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-[(4-pyrimidylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/558938.gif)