| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 14 | No |
Popular Name: (1R,5S)-5,8,8-trimethyl-2-methylamino-bicyclo[3.2.1]oct-2-en-4-one (1R,5S)-5,8,8-trimethyl-2-methyl…
| 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) | 2.30 | 4.72 | -11.19 | 1 | 2 | 0 | 29 | 193.29 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 4.21 | -34.2 | 1 | 2 | 1 | 31 | 194.298 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 194 - 196 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
![Bicyclo[3.2.1]oct-2-en-4-one](http://zinc12.docking.org/img/rings/134756.gif)