| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 15 | 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) | 1.93 | 2.59 | -47.5 | 3 | 3 | 1 | 40 | 215.361 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 4.61 | -117.27 | 4 | 3 | 2 | 41 | 216.369 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0287696A1; EP0287696B1; US4798897 | IBM Patent Data |
