| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2010 | 37 | 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) | 5.95 | 11.79 | -49.94 | 2 | 6 | -1 | 107 | 515.711 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.95 | 10.11 | -9.04 | 3 | 6 | 0 | 104 | 516.719 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0573768B1 | IBM Patent Data |
