| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 30 | 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) | 1.83 | 8.38 | -91.58 | 4 | 8 | 0 | 117 | 418.469 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 6.41 | -49.13 | 5 | 8 | 1 | 114 | 419.477 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5258528; US5344940; US5461165; US5563155; US5633264 | IBM Patent Data |
