| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 33 | 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) | 2.21 | 10.86 | -55.01 | 1 | 8 | -1 | 124 | 481.579 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.49 | 12.37 | -34.61 | 2 | 8 | -1 | 119 | 481.579 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 12.38 | -20.54 | 2 | 8 | 0 | 113 | 482.587 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.12 | 10.71 | -54.32 | 0 | 8 | -1 | 122 | 481.579 | 6 | ↓ |
