| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 26 | Yes |
Popular Name: (8aS,12aS)-8,8,11-trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydro-2H-chromeno[7,8-c]isochromene (8aS,12aS)-8,8,11-trimethyl-5-pe…
| 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) | 7.24 | 13.32 | -5.49 | 0 | 2 | 0 | 18 | 354.534 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 41 | 0.40 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 36 | 0.40 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 8 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 41 | 0.40 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 36 | 0.40 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 41 | 0.40 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 36 | 0.40 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 1 | 0.48 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
