| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2009 | 35 | No |
| 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) | 2.81 | 4.62 | -109.86 | 2 | 12 | -2 | 189 | 533.569 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 3.41 | -164.09 | 1 | 12 | -3 | 192 | 532.561 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 4.61 | -67.27 | 3 | 12 | -1 | 187 | 534.577 | 8 | ↓ |
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)
![N-[4-(isoxazol-3-ylsulfamoyl)phenyl]-2-[(4-keto-1H-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide](http://zinc12.docking.org/img/rings/149442.gif)