| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 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) | 1.58 | 8.42 | -52.4 | 0 | 9 | -1 | 132 | 449.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 7.39 | -26.85 | 1 | 9 | 0 | 129 | 450.476 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | -1.77 | -20.85 | 0 | 9 | 0 | 126 | 450.476 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 7.71 | -60.98 | 2 | 9 | 1 | 130 | 451.484 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | -1.65 | -57.63 | 1 | 9 | 1 | 127 | 451.484 | 6 | ↓ |
