| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2006 | 21 | 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) | 3.67 | -1.68 | -7.56 | 1 | 4 | 0 | 55 | 317.288 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | -1.1 | -37.09 | 0 | 4 | -1 | 57 | 316.28 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997035854A1 | IBM Patent Data |
