| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 30 | 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) | 1.67 | 1.92 | -19.46 | 1 | 8 | 0 | 97 | 421.379 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 2.01 | -44.3 | 2 | 8 | 1 | 99 | 422.387 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1-1-E | Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 2.9 | 0.40 | Binding ≤ 1μM |
| ACOD1_RAT | P07308 | Acyl-CoA Desaturase 1, Rat | 2.9 | 0.40 | Binding ≤ 10μM |
