| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2010 | 18 | Yes |
None
| 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) | 4.96 | 10.15 | -26.11 | 1 | 1 | 1 | 4 | 264.458 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.96 | 8.83 | -1.09 | 0 | 1 | 0 | 3 | 263.45 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0986555A1; WO1998055478A1 | IBM Patent Data |
