| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 47 | 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) | 3.88 | 3.84 | -260.23 | 13 | 9 | 3 | 166 | 644.881 | 20 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 1.73 | -71.36 | 11 | 9 | 1 | 157 | 642.865 | 20 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 2.74 | -132.07 | 12 | 9 | 2 | 161 | 643.873 | 20 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | 6 | -668.46 | 15 | 9 | 5 | 175 | 646.897 | 20 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | 4.93 | -464.64 | 14 | 9 | 4 | 170 | 645.889 | 20 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | 4.87 | -421.47 | 14 | 9 | 4 | 170 | 645.889 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 96 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 96 | 0.21 | Binding ≤ 1μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 96 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
