In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 26 | Yes |
Popular Name: 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-benzofuran 3-(4-fluorophenyl)-2-(4-methylsu…
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) | 4.94 | -0.35 | -13.54 | 0 | 3 | 0 | 47 | 366.413 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PGH2-4-E | Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic | Eukaryotes | 20 | 0.41 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 20 | 0.41 | Binding ≤ 1μM |
PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 20 | 0.41 | Binding ≤ 10μM |
Description | Species |
---|---|
Nicotinamide salvaging | |
Synthesis of 15-eicosatetraenoic acid derivatives | |
Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |