| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 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) | 1.77 | 7.33 | -65.5 | 2 | 6 | -1 | 98 | 452.581 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 8.83 | -42.87 | 3 | 6 | -1 | 93 | 452.581 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 8.84 | -19.78 | 3 | 6 | 0 | 87 | 453.589 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.68 | 7.17 | -62.79 | 1 | 6 | -1 | 97 | 452.581 | 5 | ↓ |
