| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 23 | No |
| 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) | 0.61 | 2.11 | -43.55 | 1 | 8 | -1 | 116 | 334.333 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | -1 | -50.5 | 1 | 8 | -1 | 119 | 334.333 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Analgesic | IBScreen Bioactives |
| biological_use | Antiinflammatory | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antipyretic agent | IBScreen Bioactives |
| mechanism | Prostaglandin antagonist | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.