| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 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) | 3.79 | 11.94 | -71.71 | 1 | 7 | 0 | 82 | 487.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 12.72 | -85.93 | 2 | 7 | 2 | 77 | 489.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 12.86 | -89.08 | 3 | 7 | 2 | 81 | 489.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 12.29 | -54.83 | 1 | 7 | 1 | 76 | 488.395 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 12.45 | -45.77 | 2 | 7 | 1 | 79 | 488.395 | 6 | ↓ |
