| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 37 | 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) | 9.21 | 5.54 | -42.64 | 1 | 4 | 1 | 39 | 512.799 | 15 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5498419; WO1995033429A1; WO2000050020A2 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.