| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 12 | 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) | -0.32 | -0.08 | -31.74 | 2 | 4 | 1 | 43 | 178.252 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | -2.44 | -6.89 | 1 | 4 | 0 | 42 | 177.244 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996015118A1; WO1996033980A1 | IBM Patent Data |
