| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2009 | 32 | Yes |
None
| 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) | 4.39 | 10.49 | -54.64 | 0 | 7 | -1 | 88 | 460.934 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | 8.51 | -14.09 | 1 | 7 | 0 | 85 | 461.942 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6110909 | IBM Patent Data |
