| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 13 | 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) | 2.58 | 8.05 | -45.45 | 1 | 2 | 1 | 28 | 183.319 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 6.11 | -4.85 | 0 | 2 | 0 | 27 | 182.311 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999048858A2 | IBM Patent Data |
