| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2008 | 33 | 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) | 2.41 | 4.38 | -13.89 | 2 | 8 | 0 | 111 | 462.38 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 4.63 | -50.71 | 3 | 8 | 1 | 112 | 463.388 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0847397A1; WO1997046563A1 | IBM Patent Data |
