| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2006 | 26 | Yes |
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CAS Number: 83327-19-9
| 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) | 2.33 | -4.34 | -11.6 | 3 | 6 | 0 | 88 | 360.406 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0906761A2; WO1998020113A1; WO1999055846A1; WO2000005350A1; WO2000059946A1 | IBM Patent Data |