| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2008 | 32 | 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) | -0.05 | 8.84 | -14.04 | 0 | 9 | 0 | 102 | 438.484 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 11.27 | -187.7 | 3 | 9 | 3 | 106 | 441.508 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 9.02 | -29.06 | 1 | 9 | 1 | 103 | 439.492 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 9.51 | -40.31 | 1 | 9 | 1 | 103 | 439.492 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.05 | 9.65 | -78.39 | 2 | 9 | 2 | 104 | 440.5 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 15 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 15 | 0.34 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 15 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors |
