| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 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) | 2.68 | 3.67 | -10.94 | 1 | 2 | 0 | 37 | 178.231 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 4.47 | -42.23 | 0 | 2 | -1 | 40 | 177.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0009869A2; EP0038614A2; US4180657; US4211879 | IBM Patent Data |
