| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 14 | 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) | 2.69 | 6.88 | -32.24 | 4 | 3 | 1 | 56 | 229.09 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 6.35 | -7.77 | 3 | 3 | 0 | 55 | 228.082 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 6.68 | -8.99 | 3 | 3 | 0 | 55 | 228.082 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5358960; WO2000062626A1 | IBM Patent Data |
