| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 11 | 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) | -0.31 | -0.9 | -45.86 | 3 | 3 | 1 | 40 | 159.253 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | 1.39 | -112.6 | 4 | 3 | 2 | 41 | 160.261 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996016980A1 | IBM Patent Data |
