| 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 | 6.66 | -56.75 | 0 | 7 | -1 | 82 | 455.918 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 8.96 | -45.24 | 2 | 7 | 1 | 81 | 457.934 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 9.28 | -49.32 | 1 | 7 | 1 | 77 | 457.934 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 9 | -71.36 | 1 | 7 | 0 | 83 | 456.926 | 7 | ↓ |
