| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | 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) | 0.30 | 1.86 | -11.52 | 2 | 4 | 0 | 58 | 190.202 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 0.54 | -49.23 | 2 | 4 | -1 | 68 | 189.194 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 335 | MolMall (formerly Molecular Diversity Preservation International) |
| PUBCHEM_PATENT_ID | WO1999048868A2; WO2000008202A2; WO2000056709A1 | IBM Patent Data |
