| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 22 | 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) | 4.46 | 7.3 | -56.81 | 1 | 4 | -1 | 73 | 290.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 8.08 | -119.44 | 0 | 4 | -2 | 76 | 289.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.46 | 7.74 | -61.73 | 2 | 4 | 0 | 74 | 291.306 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
