| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 19 | No |
Popular Name: (8aS)-2-(3-hydroxypropylamino)-6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one (8aS)-2-(3-hydroxypropylamino)-6…
| 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) | 1.90 | 3.13 | -15.31 | 2 | 5 | 0 | 75 | 279.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 2.1 | -52.27 | 1 | 5 | -1 | 77 | 278.357 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1845.gif)