| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 45 | 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) | 6.24 | 9.71 | -11.5 | 1 | 8 | 0 | 73 | 608.735 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.24 | 10.52 | -60.66 | 0 | 8 | -1 | 76 | 607.727 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 6.24 | 12.39 | -48.54 | 2 | 8 | 1 | 74 | 609.743 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | EP0931544 | ChEBI |
