| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 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) | 1.09 | 4.16 | -55.3 | 4 | 4 | 1 | 70 | 228.275 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 3.77 | -17.82 | 3 | 4 | 0 | 68 | 227.267 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0622361A1; US5563162; US5708173; US5922711 | IBM Patent Data |
