| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 11th, 2010 | 16 | 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) | 2.44 | 6.4 | -34.24 | 2 | 2 | 1 | 25 | 218.32 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 4.43 | -3.66 | 1 | 2 | 0 | 23 | 217.312 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1059283A1 | IBM Patent Data |
