| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2005 | 20 | Yes |
Popular Name: CHEBI:19865; CHEBI:32257 CHEBI:19865; CHEBI:32257
Find On: PubMed — Wikipedia — Google
CAS Number: 6386-73-8
2,6-Dibromo-4-(1-(3-bromo-4-hydroxyphenyl)-1-methylethyl)phenol
3,3',5-Tribromobisphenol A; 6386-73-8; C13621; Tribromobisphenol A
| 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) | 6.10 | -3.34 | -5.28 | 2 | 2 | 0 | 40 | 464.979 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | THBA_XENLA | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12-3-E | Arachidonate 12-lipoxygenase (cluster #3 Of 4), Eukaryotic | Eukaryotes | 7000 | 0.36 | Binding ≤ 10μM |
| LOX15-3-E | Arachidonate 15-lipoxygenase (cluster #3 Of 5), Eukaryotic | Eukaryotes | 7000 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX12_HUMAN | P18054 | Arachidonate 12-lipoxygenase, Human | 5000 | 0.37 | Binding ≤ 10μM |
| LOX15_HUMAN | P16050 | Arachidonate 15-lipoxygenase, Human | 5000 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of 12-eicosatetraenoic acid derivatives | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Hepoxilins (HX) and Trioxilins (TrX) | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) |
No pre-computed analogs available. Try a structural similarity search.