| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 30 | 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) | 5.66 | 12.62 | -40.6 | 1 | 4 | 1 | 38 | 448.722 | 14 | ↓ |
| Mid Mid (pH 6-8) | 5.66 | 12.78 | -39.66 | 1 | 4 | 1 | 38 | 448.722 | 14 | ↓ |
| Mid Mid (pH 6-8) | 5.66 | 15.11 | -110.07 | 2 | 4 | 2 | 39 | 449.73 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5001137 | IBM Patent Data |
