| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 33 | 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) | 4.65 | 7.14 | -12.57 | 3 | 7 | 0 | 99 | 449.551 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 7.7 | -46.94 | 1 | 7 | -1 | 98 | 448.543 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.42 | 7.49 | -55.28 | 1 | 7 | -1 | 98 | 448.543 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.65 | 8.22 | -41.12 | 2 | 7 | -1 | 102 | 448.543 | 9 | ↓ |
