| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 27 | Yes |
Popular Name: CCCCC[C@@H]1CCc2c(cc3c(c2O)[C@@H]4CC(=CC[C@H]4C(O3)(C)C)C)C1 CCCCC[C@@H]1CCc2c(cc3c(c2O)[C@@H…
| 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) | 8.55 | 1.19 | -4.76 | 1 | 2 | 0 | 29 | 368.561 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 402 | 0.33 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 162 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 402.4 | 0.33 | Binding ≤ 1μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 161.5 | 0.35 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 402.4 | 0.33 | Binding ≤ 10μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 161.5 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
