| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 24 | No |
Popular Name: 5-methyl-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-quinone 5-methyl-2-(3,4,5-trimethoxyphen…
| 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) | 3.28 | 2.48 | -11.26 | 0 | 6 | 0 | 66 | 327.336 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 400 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH2_SHEEP | P79208 | Cyclooxygenase-2, Sheep | 400 | 0.37 | Binding ≤ 1μM |
| PGH2_SHEEP | P79208 | Cyclooxygenase-2, Sheep | 400 | 0.37 | Binding ≤ 10μM |
