| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 18 | 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) | 1.28 | 8.25 | -92.96 | 2 | 5 | 1 | 62 | 250.322 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 6.08 | -39.05 | 1 | 5 | 0 | 61 | 249.314 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 7.93 | -70.97 | 1 | 5 | 0 | 61 | 249.314 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.76 | -47.89 | 0 | 5 | -1 | 59 | 248.306 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0882716A1; US6046201 | IBM Patent Data |
