| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2011 | 24 | 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) | 7.51 | 12.78 | -7.83 | 1 | 4 | 0 | 66 | 333.472 | 9 | ↓ |
| Hi High (pH 8-9.5) | 7.51 | 13.76 | -43.85 | 0 | 4 | -1 | 69 | 332.464 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0393613B1; US5190690 | IBM Patent Data |
