| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 8th, 2006 | 28 | 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) | 6.62 | 14.36 | -8.48 | 1 | 3 | 0 | 42 | 383.576 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-3-E | Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic | Eukaryotes | 4700 | 0.27 | Binding ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 67 | 0.36 | Binding ≤ 10μM |
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 800 | 0.30 | Functional ≤ 10μM |
| Z80566-2-O | U-937 (Histiocytic Lymphoma Cells) (cluster #2 Of 2), Other | Other | 800 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 67 | 0.36 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 4700 | 0.27 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 67 | 0.36 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 800 | 0.30 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 800 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.