| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 11 | 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) | 0.09 | -2.36 | -40.45 | 5 | 3 | 1 | 68 | 160.237 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | -2.75 | -4.1 | 4 | 3 | 0 | 66 | 159.229 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0398340A1; EP0398340B1; US5103002 | IBM Patent Data |
