| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 37 | 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) | 6.97 | 17.46 | -94.23 | 2 | 4 | 2 | 15 | 547.659 | 14 | ↓ |
| Hi High (pH 8-9.5) | 6.97 | 15.19 | -40.03 | 1 | 4 | 1 | 14 | 546.651 | 14 | ↓ |
| Hi High (pH 8-9.5) | 6.97 | 15.19 | -41.03 | 1 | 4 | 1 | 14 | 546.651 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4725597 | IBM Patent Data |
