| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 19 | No |
Popular Name: (7R,8aS)-7-tert-butyl-6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidine-2,4-dithione (7R,8aS)-7-tert-butyl-6,7,8,8a-t…
| 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) | 4.05 | 8.35 | -52.5 | 0 | 2 | -1 | 26 | 309.505 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 8.73 | -15.68 | 1 | 2 | 0 | 29 | 310.513 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,8a-tetrahydro-5H-benzothiopheno[2,3-d]pyrimidine-2-thione](http://zinc12.docking.org/img/rings/594943.gif)