| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2011 | 20 | 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) | 3.71 | 9.66 | -60.56 | 1 | 4 | 0 | 48 | 284.444 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 7.39 | -42.92 | 0 | 4 | -1 | 47 | 283.436 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 9.67 | -42.64 | 1 | 4 | 0 | 48 | 284.444 | 11 | ↓ |
