| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2011 | 11 | 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) | -0.14 | 0.21 | -95.86 | 5 | 3 | 2 | 47 | 159.277 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | -1.15 | -36.8 | 4 | 3 | 1 | 43 | 158.269 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6156752 | IBM Patent Data |
