| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2010 | 14 | 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) | 1.44 | 6.37 | -39.78 | 2 | 3 | 1 | 54 | 184.222 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 5.95 | -10.37 | 1 | 3 | 0 | 52 | 183.214 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999057099A1 | IBM Patent Data |
