| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 26 | Yes |
Popular Name: 1'-(cyclooctylmethyl)-6-hydroxy-1-methyl-spiro[indoline-3,4'-piperidine]-2-one 1'-(cyclooctylmethyl)-6-hydroxy-…
| 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) | 4.44 | 9.56 | -44.25 | 2 | 4 | 1 | 45 | 357.518 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.44 | 10.34 | -64.55 | 1 | 4 | 0 | 48 | 356.51 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 300 | 0.35 | Binding ≤ 10μM |
| OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 120 | 0.37 | Binding ≤ 10μM |
| OPRX-1-E | Nociceptin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2680 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 300 | 0.35 | Binding ≤ 1μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 120 | 0.37 | Binding ≤ 1μM |
| OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 300 | 0.35 | Binding ≤ 10μM |
| OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 120 | 0.37 | Binding ≤ 10μM |
| OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 2680 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Peptide ligand-binding receptors |
