| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 30 | Yes |
None
| 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) | -0.56 | -1.47 | -103.94 | 10 | 8 | 2 | 154 | 416.522 | 11 | ↓ |
| Hi High (pH 8-9.5) | -0.56 | -1.98 | -60.64 | 9 | 8 | 1 | 152 | 415.514 | 11 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | -2.12 | -18.16 | 8 | 8 | 0 | 151 | 414.506 | 11 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | -1.77 | -55.14 | 9 | 8 | 1 | 152 | 415.514 | 11 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | -1.47 | -103.92 | 10 | 8 | 2 | 154 | 416.522 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6500 | 0.24 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 309 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 309 | 0.30 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 6500 | 0.24 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 309 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
