| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 12 | 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) | 0.73 | 3.74 | -43.87 | 3 | 2 | 1 | 45 | 164.228 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 3.3 | -7.31 | 2 | 2 | 0 | 43 | 163.22 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0197274A1; US4650910 | IBM Patent Data |
