| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 16th, 2006 | 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) | 1.65 | 8.54 | -15.54 | 0 | 4 | 0 | 51 | 227.267 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 9.06 | -40.37 | 1 | 4 | 1 | 52 | 228.275 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0504574A1; EP0504574B1 | IBM Patent Data |
