| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2011 | 19 | 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) | 4.98 | 9.26 | -6.19 | 1 | 3 | 0 | 42 | 290.153 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.98 | 9.12 | -37.92 | 0 | 3 | -1 | 40 | 289.145 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4379155 | IBM Patent Data |
