| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 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) | 2.33 | 7.75 | -74.6 | 2 | 8 | 0 | 104 | 454.523 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.52 | -61.33 | 1 | 8 | -1 | 102 | 453.515 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 6.61 | -62.96 | 3 | 8 | 1 | 101 | 455.531 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 7.59 | -68.86 | 2 | 8 | 1 | 98 | 455.531 | 10 | ↓ |
