| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 17 | 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) | -2.71 | 4.85 | -31.54 | 4 | 4 | 1 | 61 | 238.355 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.71 | 4.77 | -92.66 | 5 | 4 | 2 | 63 | 239.363 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.71 | 4.7 | -89.15 | 5 | 4 | 2 | 63 | 239.363 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999003819A1 | IBM Patent Data |
