| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 17 | 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) | 3.26 | 5.09 | -93.54 | 4 | 3 | 2 | 43 | 249.745 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 4.68 | -52.22 | 3 | 3 | 1 | 42 | 248.737 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0656353A1; EP0656353B1; US5596002 | IBM Patent Data |
