| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 28 | 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) | -0.15 | 6.6 | -45.06 | 3 | 7 | 0 | 114 | 380.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 7.59 | -58.7 | 2 | 7 | -1 | 117 | 379.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 5.75 | -58.99 | 2 | 7 | -1 | 110 | 379.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 6.75 | -105.8 | 1 | 7 | -2 | 113 | 378.384 | 4 | ↓ |
