| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 24 | 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) | 6.15 | 11.78 | -10.54 | 1 | 3 | 0 | 38 | 331.806 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.15 | 11.86 | -24.02 | 2 | 3 | 1 | 39 | 332.814 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0975605A1; WO1998046574A1 | IBM Patent Data |
