| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 34 | Yes |
| 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) | 1.46 | 1.66 | -99.58 | 10 | 8 | 2 | 154 | 472.63 | 15 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 1.14 | -60.35 | 9 | 8 | 1 | 152 | 471.622 | 15 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 1.03 | -17.96 | 8 | 8 | 0 | 151 | 470.614 | 15 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 1.33 | -54.81 | 9 | 8 | 1 | 152 | 471.622 | 15 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 1.66 | -99.52 | 10 | 8 | 2 | 154 | 472.63 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6150 | 0.21 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 399 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 399 | 0.26 | Binding ≤ 1μM |
| OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 6150 | 0.21 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 399 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
