| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 26 | 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) | 2.75 | -0.8 | -11.72 | 1 | 8 | 0 | 95 | 355.35 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1-1-E | Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 78 | 0.38 | Binding ≤ 10μM |
| MGLL-2-E | Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 20 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 77.6247117 | 0.38 | Binding ≤ 1μM |
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 20.4173794 | 0.41 | Binding ≤ 1μM |
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 77.6247117 | 0.38 | Binding ≤ 10μM |
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 20.4173794 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of DAG and TAG | |
| Arachidonate production from DAG | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis |
