| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-1-phenyl-triazol-4-ol 5-[[(1S,4R)-5-azabicyclo[2.2.1]h…
| 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) | 1.97 | 5.25 | -37.88 | 2 | 5 | 1 | 59 | 271.344 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 3.21 | -58.03 | 0 | 5 | -1 | 57 | 269.328 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.46 | -44.28 | 1 | 5 | 0 | 58 | 270.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 4 | -14.41 | 1 | 5 | 0 | 58 | 270.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-azabicyclo[2.2.1]heptane](http://zinc12.docking.org/img/rings/5369.gif)
![2-[(3-phenyltriazol-4-yl)methyl]-2-azabicyclo[2.2.1]heptane](http://zinc12.docking.org/img/rings/542281.gif)