| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 25 | 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) | 1.04 | 1.95 | -100.78 | 6 | 5 | 2 | 82 | 344.455 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 1.6 | -47.75 | 5 | 5 | 1 | 80 | 343.447 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0577847A1; EP0663401A1; EP0846694A1 | IBM Patent Data |
