| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 13 | 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) | 2.07 | 5.27 | -12.4 | 1 | 3 | 0 | 42 | 175.235 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 5.33 | -8.56 | 1 | 3 | 0 | 42 | 175.235 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5210092; US5215994; US5661158; WO1994004153A1 | IBM Patent Data |
