| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 33 | 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) | 3.47 | 10.95 | -56.88 | 0 | 8 | -1 | 112 | 451.499 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | 8.97 | -14.74 | 1 | 8 | 0 | 109 | 452.507 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5726306; US5885979 | IBM Patent Data |
