| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 41 | 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) | -0.57 | 1.24 | -74.57 | 10 | 12 | 1 | 207 | 567.667 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 0.94 | -28.93 | 9 | 12 | 0 | 206 | 566.659 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 49 | 0.25 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.31 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 8 | 0.28 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 101 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 49.3 | 0.25 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.994 | 0.31 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 49.3 | 0.25 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.994 | 0.31 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 7.99 | 0.28 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 101 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
