| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 38 | 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) | 5.72 | 7.93 | -20.53 | 5 | 8 | 0 | 145 | 516.546 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.72 | 7.97 | -47.37 | 4 | 8 | -1 | 147 | 515.538 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.72 | 8.68 | -20.29 | 4 | 8 | 0 | 147 | 515.538 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0949917A1; WO1998014186A1; WO1999041984A1 | IBM Patent Data |
