| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | No |
Popular Name: Ethyl3,4-dihydroxybenzylidenecyanoacetate Ethyl3,4-dihydroxybenzylidenecya…
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CAS Number: 132464-92-7
| 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) | 1.66 | 0.17 | -11.86 | 2 | 5 | 0 | 90 | 233.223 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LX12L-1-E | Arachidonate 12-lipoxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 33 | 0.62 | Binding ≤ 10μM |
| LX15B-1-E | Arachidonate 15-lipoxygenase, Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 330 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LX12L_RAT | Q02759 | Arachidonate 12-lipoxygenase, Rat | 33 | 0.62 | Binding ≤ 1μM |
| LX15B_RAT | Q8K4F2 | Arachidonate 15-lipoxygenase, Type II, Rat | 330 | 0.53 | Binding ≤ 1μM |
| LX12L_RAT | Q02759 | Arachidonate 12-lipoxygenase, Rat | 33 | 0.62 | Binding ≤ 10μM |
| LX15B_RAT | Q8K4F2 | Arachidonate 15-lipoxygenase, Type II, Rat | 330 | 0.53 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.