| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2010 | 14 | No |
| 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) | 0.93 | 2.89 | -42.58 | 4 | 2 | 1 | 48 | 212.338 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 2.58 | -4.22 | 3 | 2 | 0 | 46 | 211.33 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0520336A2; EP0520336A3 | IBM Patent Data |
