| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2011 | 15 | 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) | 1.53 | 3 | -41.85 | 4 | 2 | 1 | 48 | 202.277 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 2.69 | -5.72 | 3 | 2 | 0 | 46 | 201.269 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0593559A1; US5472978; US5760248; WO1993001169A2 | IBM Patent Data |
