| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 26 | Yes |
Popular Name: 2-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid 2-(4-(2-(Trifluoromethyl)benzoyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 916888-64-7
| 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) | 2.21 | 8.75 | -55.7 | 0 | 6 | -1 | 77 | 384.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 9.16 | -48.24 | 1 | 6 | 0 | 78 | 385.367 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 7000 | 0.28 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.