| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 30 | 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) | 2.32 | 2.28 | -46.86 | 1 | 9 | -1 | 123 | 431.808 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 3.19 | -103.58 | 0 | 9 | -2 | 126 | 430.8 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 4.05 | -16.75 | 2 | 9 | 0 | 120 | 432.816 | 5 | ↓ |
