| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 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) | 1.67 | 6.14 | -55.85 | 0 | 8 | -1 | 95 | 448.499 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | -1.08 | -54.13 | 1 | 8 | 1 | 90 | 450.515 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 8.48 | -72.97 | 1 | 8 | 0 | 96 | 449.507 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | -0.97 | -110.08 | 2 | 8 | 2 | 91 | 451.523 | 9 | ↓ |
