| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 29 | 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) | 2.80 | 9.94 | -68.26 | 1 | 6 | 0 | 78 | 400.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 7.7 | -55.51 | 0 | 6 | -1 | 77 | 399.442 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 9.12 | -50.74 | 2 | 6 | 1 | 75 | 401.458 | 8 | ↓ |
