| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 15 | No |
Popular Name: N,3-dihydroxynaphthalene-2-carboxamide N,3-dihydroxynaphthalene-2-carbo…
Find On: PubMed — Wikipedia — Google
CAS Number: 22974-74-9
| 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) | 2.46 | 2.04 | -17.24 | 3 | 4 | 0 | 70 | 203.197 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 2.98 | -68.01 | 2 | 4 | -1 | 72 | 202.189 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-6-E | Arachidonate 5-lipoxygenase (cluster #6 Of 6), Eukaryotic | Eukaryotes | 3300 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 3300 | 0.51 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.