| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2010 | 34 | 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) | 5.12 | 9.16 | -48.75 | 4 | 6 | 1 | 87 | 474.606 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.12 | 6.95 | -10.66 | 3 | 6 | 0 | 86 | 473.598 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0723537A1; WO1995010513A1 | IBM Patent Data |
