| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 21 | Yes |
Popular Name: (1S,6R)-9-[3-(3-hydroxyisoxazol-5-yl)propanoyl]-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one (1S,6R)-9-[3-(3-hydroxyisoxazol-…
| 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) | 1.45 | 2.21 | -51.61 | 0 | 7 | -1 | 90 | 292.315 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 3.85 | -15.9 | 1 | 7 | 0 | 87 | 293.323 | 3 | ↓ |
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-(3-isoxazol-5-ylpropanoyl)-4,9-diazabicyclo[4.2.1]nonan-3-one](http://zinc12.docking.org/img/rings/610412.gif)