| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 25 | 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) | 3.03 | 3.9 | -17.02 | 2 | 7 | 0 | 98 | 344.319 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 4.91 | -51.45 | 1 | 7 | -1 | 101 | 343.311 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0742012A2 | IBM Patent Data |
