| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 22 | Yes |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Lo Low (pH 4.5-6) | 0.35 | 3.7 | -20.19 | 1 | 7 | 0 | 96 | 337.382 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.77e-01 g/l | DrugBank-approved |
| biological_use | Analgesic | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antiinflammatory agent | IBScreen Bioactives |
| mechanism | Non-selective COX inhibitor | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.