| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2010 | 15 | 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) | 2.11 | 7.41 | -108.45 | 3 | 2 | 2 | 21 | 206.333 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 4.95 | -37.33 | 2 | 2 | 1 | 20 | 205.325 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 7.52 | -28.41 | 2 | 2 | 1 | 16 | 205.325 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6054445; US6057323; WO2000014065A1 | IBM Patent Data |
