| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 14 | 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) | 1.06 | 6.18 | -38.79 | 2 | 4 | 1 | 46 | 193.274 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 5.01 | -5.75 | 1 | 4 | 0 | 41 | 192.266 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0914321A1; WO1998001443A1 | IBM Patent Data |
