| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2009 | 34 | 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) | 4.33 | 12.87 | -117.63 | 7 | 8 | 2 | 112 | 485.08 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 11.52 | -50.84 | 6 | 8 | 1 | 107 | 484.072 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 13.14 | -197.32 | 8 | 8 | 3 | 113 | 486.088 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000071543A1 | IBM Patent Data |
