| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 13 | 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) | 1.07 | -0.77 | -10.22 | 2 | 4 | 0 | 66 | 201.247 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | -0.71 | -37.67 | 1 | 4 | -1 | 68 | 200.239 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0246616A2; EP0446863B1; US4259469; US4874689; US5476759 | IBM Patent Data |
