| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2009 | 26 | Yes |
Popular Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(3-pyridyl)piperazine-1-carboxamide 4-(3-phenyl-1,2,4-thiadiazol-5-y…
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| 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) | 2.84 | 8.02 | -17.4 | 1 | 7 | 0 | 74 | 366.45 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 8.54 | -47.09 | 2 | 7 | 1 | 75 | 367.458 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1-5-E | Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic | Eukaryotes | 9 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 9.8 | 0.43 | Binding ≤ 1μM |
| FAAH1_RAT | P97612 | Anandamide Amidohydrolase, Rat | 8.7 | 0.43 | Binding ≤ 1μM |
| FAAH1_RAT | P97612 | Anandamide Amidohydrolase, Rat | 8.7 | 0.43 | Binding ≤ 10μM |
| FAAH1_HUMAN | O00519 | Anandamide Amidohydrolase, Human | 9.8 | 0.43 | Binding ≤ 10μM |
