| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2008 | 18 | 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) | 3.96 | 5.55 | -9.38 | 1 | 3 | 0 | 46 | 302.182 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 5.64 | -42.56 | 0 | 3 | -1 | 48 | 301.174 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996001825A1 | IBM Patent Data |
