| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 22 | Yes |
Popular Name: (1R,6S)-9-[[4-(diethylamino)phenyl]methyl]-4,9-diazabicyclo[4.2.1]nonan-3-one (1R,6S)-9-[[4-(diethylamino)phen…
| 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) | 3.43 | 8.45 | -44.01 | 2 | 4 | 1 | 37 | 302.442 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 6.35 | -7.75 | 1 | 4 | 0 | 36 | 301.434 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | 6.46 | -16.88 | 2 | 4 | 0 | 37 | 302.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | 8.55 | -27.71 | 3 | 4 | 0 | 38 | 303.45 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,9-diazabicyclo[4.2.1]nonan-3-one](http://zinc12.docking.org/img/rings/33368.gif)
![9-benzyl-4,9-diazabicyclo[4.2.1]nonan-3-one](http://zinc12.docking.org/img/rings/406642.gif)