| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2006 | 25 | No |
Popular Name: N-[(8-hydroxy-5-nitro-7-quinolyl)-(2-thienyl)methyl]propanamide N-[(8-hydroxy-5-nitro-7-quinolyl…
| 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) | 3.25 | 6.35 | -46.18 | 1 | 7 | -1 | 111 | 356.383 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 5.58 | -12.9 | 2 | 7 | 0 | 108 | 357.391 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12-2-E | Arachidonate 12-lipoxygenase (cluster #2 Of 4), Eukaryotic | Eukaryotes | 800 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12_HUMAN | P18054 | Arachidonate 12-lipoxygenase, Human | 800 | 0.34 | Binding ≤ 1μM |
| LOX12_HUMAN | P18054 | Arachidonate 12-lipoxygenase, Human | 800 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of Hepoxilins (HX) and Trioxilins (TrX) | |
| Synthesis of Lipoxins (LX) |
