| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 25 | Yes |
Popular Name: 1-[(E)-2-(4-fluorophenyl)-1-phenyl-vinyl]-4-methylsulfonyl-benzene 1-[(E)-2-(4-fluorophenyl)-1-phen…
| 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) | 4.63 | 10.38 | -12.09 | 0 | 2 | 0 | 34 | 352.43 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2-4-E | Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic | Eukaryotes | 32 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2_SHEEP | P79208 | Cyclooxygenase-2, Sheep | 31.6 | 0.42 | Binding ≤ 1μM |
| PGH2_SHEEP | P79208 | Cyclooxygenase-2, Sheep | 31.6 | 0.42 | Binding ≤ 10μM |
