| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 12 | 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) | -0.23 | 3.34 | -41.4 | 3 | 2 | 1 | 37 | 166.244 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 3.07 | -2.18 | 2 | 2 | 0 | 35 | 165.236 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4906739; US5134238 | IBM Patent Data |
