| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 17 | No |
Popular Name: DNC004653 DNC004653
None
| 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) | 4.01 | 9.38 | -5.69 | 0 | 1 | 0 | 17 | 244.256 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1-2-E | Carboxylesterase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 1 | 0.74 | Binding ≤ 10μM |
| FAAH1-7-E | Anandamide Amidohydrolase (cluster #7 Of 7), Eukaryotic | Eukaryotes | 840 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 0.5 | 0.77 | Binding ≤ 1μM |
| FAAH1_RAT | P97612 | Anandamide Amidohydrolase, Rat | 170 | 0.56 | Binding ≤ 1μM |
| FAAH1_MOUSE | O08914 | Anandamide Amidohydrolase, Mouse | 170 | 0.56 | Binding ≤ 1μM |
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 0.5 | 0.77 | Binding ≤ 10μM |
| FAAH1_RAT | P97612 | Anandamide Amidohydrolase, Rat | 170 | 0.56 | Binding ≤ 10μM |
| FAAH1_MOUSE | O08914 | Anandamide Amidohydrolase, Mouse | 170 | 0.56 | Binding ≤ 10μM |
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 5000 | 0.44 | Binding ≤ 10μM |
