| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2006 | 13 | 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) | 1.73 | 2.73 | -42.15 | 4 | 3 | 1 | 60 | 187.307 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 2.76 | -6.43 | 3 | 3 | 0 | 55 | 186.299 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5075337 | IBM Patent Data |
