| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 21 | 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) | 1.98 | 4.5 | -34 | 3 | 4 | 1 | 50 | 287.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 2.67 | -7.24 | 2 | 4 | 0 | 48 | 286.375 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0907651A1; WO1998000424A1 | IBM Patent Data |
