| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 20 | Yes |
Popular Name: 6-[(1S,6R)-9-methyl-4,9-diazabicyclo[4.2.1]nonane-4-carbonyl]-1H-pyrimidine-2,4-dione 6-[(1S,6R)-9-methyl-4,9-diazabic…
| 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) | 0.00 | 2.35 | -50.74 | 2 | 7 | 0 | 94 | 278.312 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 0.93 | -33.9 | 1 | 7 | -1 | 92 | 277.304 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.46 | 2.79 | -48.29 | 3 | 7 | 1 | 90 | 279.32 | 1 | ↓ |
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)
![4-(4,9-diazabicyclo[4.2.1]nonane-4-carbonyl)-1H-pyrimidin-6-one](http://zinc12.docking.org/img/rings/585355.gif)