| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 39 | 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) | 5.40 | 11.27 | -17.52 | 2 | 8 | 0 | 97 | 527.621 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 11.82 | -47.32 | 0 | 8 | -1 | 96 | 526.613 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.17 | 11.52 | -59.18 | 0 | 8 | -1 | 96 | 526.613 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.40 | 12.41 | -41.89 | 1 | 8 | -1 | 100 | 526.613 | 9 | ↓ |
