| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 10 | 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) | -0.64 | -0.55 | -97.09 | 5 | 3 | 2 | 53 | 146.234 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | -2.05 | -37.31 | 4 | 3 | 1 | 49 | 145.226 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0326916A2; US5173484; US5284842; US5453422 | IBM Patent Data |
