| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2008 | 13 | No |
| 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) | 2.97 | 6.57 | -5.92 | 0 | 1 | 0 | 9 | 200.278 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 7.11 | -45.45 | 0 | 1 | -1 | 9 | 199.27 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999067254A2 | IBM Patent Data |
