| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 39 | 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) | 9.85 | 26.07 | -102 | 0 | 4 | -2 | 80 | 550.909 | 30 | ↓ |
| Lo Low (pH 4.5-6) | 9.85 | 24.09 | -48.19 | 1 | 4 | -1 | 77 | 551.917 | 30 | ↓ |
| Lo Low (pH 4.5-6) | 9.85 | 24.1 | -55.9 | 1 | 4 | -1 | 77 | 551.917 | 30 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0723432A1; EP0723432B1 | IBM Patent Data |
