| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 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) | 2.08 | 0.93 | -12.24 | 3 | 5 | 0 | 81 | 258.343 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 1 | -42.84 | 2 | 5 | -1 | 83 | 257.335 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0518909A1; EP0518909B1; EP0585873B1 | IBM Patent Data |
