| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2008 | 32 | 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) | 2.76 | 9.21 | -40.25 | 0 | 8 | -1 | 108 | 449.512 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 7.8 | -27.26 | 1 | 8 | 0 | 106 | 450.52 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 8.77 | -20.07 | 0 | 8 | 0 | 102 | 450.52 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 8.09 | -56.39 | 2 | 8 | 1 | 107 | 451.528 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 9.06 | -46.63 | 1 | 8 | 1 | 104 | 451.528 | 7 | ↓ |
