| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 18 | Yes |
Popular Name: 3-benzylnaphthalen-1-ol 3-benzylnaphthalen-1-ol
| 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) | 4.79 | 8.4 | -8.49 | 1 | 1 | 0 | 20 | 234.298 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-6-E | Arachidonate 5-lipoxygenase (cluster #6 Of 6), Eukaryotic | Eukaryotes | 690 | 0.48 | Binding ≤ 10μM |
| PGH1-2-E | Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 2700 | 0.43 | Binding ≤ 10μM |
| PGH2-2-E | Cyclooxygenase-2 (cluster #2 Of 8), Eukaryotic | Eukaryotes | 2700 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 690 | 0.48 | Binding ≤ 1μM |
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 690 | 0.48 | Binding ≤ 10μM |
| PGH1_BOVIN | O62664 | Cyclooxygenase-1, Bovin | 2700 | 0.43 | Binding ≤ 10μM |
| PGH2_BOVIN | O62698 | Cyclooxygenase-2, Bovin | 2700 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| COX reactions | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
