| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 31 | 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) | 2.19 | 5.48 | -73.52 | 3 | 7 | 0 | 107 | 444.915 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 3.99 | -61.49 | 2 | 7 | -1 | 102 | 443.907 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 4.46 | -61 | 4 | 7 | 1 | 104 | 445.923 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 5.49 | -58.24 | 3 | 7 | 1 | 101 | 445.923 | 10 | ↓ |
