| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 10 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.79 | 1.45 | -41.71 | 3 | 3 | 1 | 46 | 145.226 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 0.05 | -8.91 | 2 | 3 | 0 | 41 | 144.218 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1047450A1; WO1999009003A1; WO1999032150A1; WO2000004892A2 | IBM Patent Data |
