| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | No |
Popular Name: 2-(cyclooctylamino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one 2-(cyclooctylamino)-5,7-dihydro-…
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| 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) | 3.69 | 7.65 | -8.64 | 2 | 4 | 0 | 58 | 279.409 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 5.69 | -45.25 | 1 | 4 | -1 | 61 | 278.401 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/551817.gif)
![2-(cyclooctylamino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/553752.gif)