| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 18 | Yes |
Popular Name: (4aS)-4-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-4aH-pyrrolo[2,3-d]pyrimidine (4aS)-4-[(1S,6R)-3,9-diazabicycl…
| 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) | 0.72 | 6.66 | -48.18 | 3 | 5 | 1 | 61 | 244.322 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 5.73 | -9.12 | 2 | 5 | 0 | 57 | 243.314 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 7.61 | -112.31 | 3 | 5 | 2 | 59 | 245.33 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![7H-pyrrolo[2,3-d]pyrimidine](http://zinc12.docking.org/img/rings/7073.gif)
![4,9-diazabicyclo[4.2.1]nonane](http://zinc12.docking.org/img/rings/40550.gif)
![4-(4,9-diazabicyclo[4.2.1]nonan-9-yl)-7H-pyrrolo[2,3-d]pyrimidine](http://zinc12.docking.org/img/rings/401347.gif)