| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2006 | 18 | 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) | 2.62 | 3.79 | -10.23 | 2 | 4 | 0 | 66 | 238.246 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 1.97 | -50.44 | 1 | 4 | -1 | 69 | 237.238 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1998033802A1 | IBM Patent Data |
