| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 32 | Yes |
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) | 5.42 | 5.46 | -61.54 | 7 | 7 | 1 | 126 | 450.644 | 14 | ↓ |
| Hi High (pH 8-9.5) | 5.42 | 5.17 | -16.21 | 6 | 7 | 0 | 125 | 449.636 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0716077A1; US5641778 | IBM Patent Data |
