| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 19 | No |
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) | 2.78 | 4.53 | -18.03 | 2 | 4 | 0 | 71 | 254.241 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 5.09 | -42.26 | 1 | 4 | -1 | 73 | 253.233 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 5.01 | -41.47 | 1 | 4 | -1 | 73 | 253.233 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12-2-E | Arachidonate 12-lipoxygenase (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6400 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12_HUMAN | P18054 | Arachidonate 12-lipoxygenase, Human | 6400 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of Hepoxilins (HX) and Trioxilins (TrX) | |
| Synthesis of Lipoxins (LX) |
