| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2009 | 16 | 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) | -0.09 | -1.4 | -39.48 | 6 | 5 | 1 | 100 | 222.268 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | -1.76 | -10.98 | 5 | 5 | 0 | 98 | 221.26 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5378729; US5654301; WO1992021648A1 | IBM Patent Data |
