| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 19 | Yes |
Popular Name: 4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]thieno[3,2-d]pyrimidine 4-[(9aR)-1,3,4,5,7,8,9,9a-octahy…
| 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) | 2.08 | 8.96 | -41.15 | 1 | 4 | 1 | 33 | 275.401 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 7.39 | -8.17 | 0 | 4 | 0 | 32 | 274.393 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 9.42 | -79.22 | 2 | 4 | 2 | 35 | 276.409 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Thieno[3,2-d]pyrimidine](http://zinc12.docking.org/img/rings/4169.gif)
![2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/22747.gif)
![4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)thieno[3,2-d]pyrimidine](http://zinc12.docking.org/img/rings/431446.gif)