| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: 2-[[[(3S)-1,1-dioxothian-3-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(3S)-1,1-dioxothian-3-yl]am…
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) | 0.20 | 0.19 | -21.82 | 2 | 6 | 0 | 92 | 313.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | -2.43 | -58.45 | 1 | 6 | -1 | 95 | 312.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | -1.25 | -62.84 | 2 | 6 | 0 | 100 | 313.404 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.20 | 1.38 | -72.39 | 3 | 6 | 1 | 97 | 314.412 | 3 | ↓ |
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-[[(1,1-diketothian-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/290141.gif)