| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 13 | No |
None
| 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) | 1.31 | 1.5 | -11.45 | 1 | 4 | 0 | 59 | 198.247 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 1.8 | -47.75 | 0 | 4 | -1 | 61 | 197.239 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0734389A1; EP0734389B1; US5912253 | IBM Patent Data |
