| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 17 | 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) | 3.75 | 2.17 | -9.93 | 3 | 4 | 0 | 78 | 238.283 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 1.32 | -43.82 | 2 | 4 | -1 | 81 | 237.275 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 1.31 | -45.05 | 2 | 4 | -1 | 81 | 237.275 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1991009595A1 | IBM Patent Data |
