| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 21 | Yes |
Popular Name: (1R,6S)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-4,9-diazabicyclo[4.2.1]nonane (1R,6S)-4-[(1-pyrimidin-2-ylpyrr…
| 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) | 1.13 | 8.96 | -35.6 | 2 | 5 | 1 | 51 | 284.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 7.72 | -7.1 | 1 | 5 | 0 | 46 | 283.379 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 9.49 | -33.57 | 2 | 5 | 1 | 47 | 284.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,9-diazabicyclo[4.2.1]nonane](http://zinc12.docking.org/img/rings/40550.gif)
![3-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3,9-diazabicyclo[4.2.1]nonane](http://zinc12.docking.org/img/rings/416506.gif)