| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2011 | 25 | 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) | 7.75 | 9.59 | -34.93 | 5 | 3 | 1 | 68 | 358.631 | 18 | ↓ |
| Hi High (pH 8-9.5) | 7.75 | 9.36 | -2.83 | 4 | 3 | 0 | 66 | 357.623 | 18 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0821086A3; EP0879855A1; US5882780 | IBM Patent Data |
