| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 40 | 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) | 6.38 | -0.17 | -19.09 | 1 | 8 | 0 | 126 | 559.688 | 11 | ↓ |
| Hi High (pH 8-9.5) | 6.38 | 0.41 | -45.51 | 0 | 8 | -1 | 128 | 558.68 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 6.38 | 0.06 | -55.87 | 2 | 8 | 1 | 127 | 560.696 | 11 | ↓ |
