| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 12 | No |
| 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) | 1.69 | 3.14 | -8.56 | 1 | 3 | 0 | 41 | 183.594 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.16 | -57.79 | 0 | 3 | -1 | 43 | 182.586 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 2.43 | -133.25 | 0 | 3 | -2 | 51 | 181.578 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996023770A1 | IBM Patent Data |
