| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2009 | 9 | 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) | -1.37 | -1.46 | -96.74 | 6 | 3 | 2 | 65 | 134.223 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | -1.92 | -39.64 | 5 | 3 | 1 | 63 | 133.215 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1045022A1 | IBM Patent Data |
