| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 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) | 1.18 | 3.55 | -55.85 | 1 | 4 | -1 | 77 | 193.178 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 4.31 | -122.54 | 0 | 4 | -2 | 80 | 192.17 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0021178A1; US4317821 | IBM Patent Data |
