| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 33 | No |
| 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) | -1.67 | -0.29 | -220.46 | 8 | 10 | 2 | 162 | 483.635 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.67 | -1.88 | -115.52 | 6 | 10 | 0 | 156 | 481.619 | 9 | ↓ |
| Hi High (pH 8-9.5) | -1.67 | -2.83 | -114.99 | 6 | 10 | 0 | 153 | 481.619 | 9 | ↓ |
| Mid Mid (pH 6-8) | -1.67 | -0.65 | -130.46 | 7 | 10 | 1 | 160 | 482.627 | 9 | ↓ |
| Mid Mid (pH 6-8) | -1.67 | -1.61 | -128.69 | 7 | 10 | 1 | 157 | 482.627 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5977097 | IBM Patent Data |
