| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 15 | Yes |
| 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) | 2.76 | 8.85 | -34.91 | 1 | 2 | 1 | 8 | 205.325 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 6.49 | -2.14 | 0 | 2 | 0 | 6 | 204.317 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0995741A1 | IBM Patent Data |
