| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 12 | 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) | 1.95 | 3.03 | -5.89 | 3 | 3 | 0 | 47 | 166.224 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 2.83 | -51 | 4 | 3 | 1 | 49 | 167.232 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0221083A1; WO1986004481A2 | IBM Patent Data |
