| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 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 | 6.25 | -39.6 | 2 | 2 | 1 | 20 | 233.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 7.19 | -31.84 | 2 | 2 | 1 | 16 | 233.379 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0915888A1; WO1997040051A1 | IBM Patent Data |
