| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 17 | 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) | 2.62 | 6.01 | -37.56 | 2 | 2 | 1 | 20 | 233.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 6.79 | -31.5 | 2 | 2 | 1 | 16 | 233.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.62 | 8.17 | -110.68 | 3 | 2 | 2 | 21 | 234.387 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0915888A1; WO1997040051A1 | IBM Patent Data |
