| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 42 | No |
| 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) | -0.65 | 1.73 | -65.57 | 8 | 12 | 1 | 185 | 579.678 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.65 | 1.41 | -24.99 | 7 | 12 | 0 | 183 | 578.67 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1280 | 0.20 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4 | 0.28 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 13 | 0.26 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 70 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 3.99 | 0.28 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 1280 | 0.20 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 3.99 | 0.28 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 13.4 | 0.26 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 69.9 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
![1,4,10,13-tetrazabicyclo[13.3.0]octadecane-2,5,11,14-diquinone](http://zinc12.docking.org/img/rings/86667.gif)
![N-(3-benzyl-2,5,11,14-tetraketo-1,4,10,13-tetrazabicyclo[13.3.0]octadecan-6-yl)-3-phenyl-propionamide](http://zinc12.docking.org/img/rings/86684.gif)
