| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 22 | Yes |
Popular Name: 2-(4-acetyl-1,4-diazepan-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone 2-(4-acetyl-1,4-diazepan-1-yl)-1…
| 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) | 0.48 | 8.33 | -43.79 | 1 | 5 | 1 | 45 | 322.454 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 6.68 | -12.13 | 0 | 5 | 0 | 44 | 321.446 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7-tetrahydrothieno[3,2-c]pyridine](http://zinc12.docking.org/img/rings/1811.gif)
![2-(1,4-diazepan-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone](http://zinc12.docking.org/img/rings/157758.gif)