| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2009 | 38 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 4.60 | 10.68 | -146.39 | 5 | 6 | 2 | 68 | 520.762 | 15 | ↓ |
| Hi High (pH 8-9.5) | 4.60 | 9.8 | -5.95 | 3 | 6 | 0 | 62 | 518.746 | 15 | ↓ |
| Hi High (pH 8-9.5) | 4.60 | 9.67 | -56.81 | 4 | 6 | 1 | 67 | 519.754 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 11.97 | -101.8 | 5 | 6 | 2 | 65 | 520.762 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 12.62 | -232.03 | 6 | 6 | 3 | 69 | 521.77 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 12.07 | -94.83 | 5 | 6 | 2 | 68 | 520.762 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK-4-E | Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 6059 | 0.19 | Binding ≤ 10μM |
| OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1498 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 6059 | 0.19 | Binding ≤ 10μM |
| OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1498 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G-protein activation | |
| Opioid Signalling | |
| Peptide ligand-binding receptors |
