| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 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) | 2.94 | 6.87 | -51.76 | 0 | 7 | -1 | 82 | 455.918 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 9.07 | -47.97 | 1 | 7 | 1 | 77 | 457.934 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 8.04 | -46.9 | 2 | 7 | 1 | 81 | 457.934 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 9.22 | -62.89 | 1 | 7 | 0 | 83 | 456.926 | 7 | ↓ |
