| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 35 | 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) | 4.71 | 12.78 | -73.81 | 1 | 7 | 0 | 83 | 480.605 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 10.24 | -57.42 | 0 | 7 | -1 | 82 | 479.597 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.16 | 11.64 | -60.85 | 2 | 7 | 1 | 81 | 481.613 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 12.68 | -63.29 | 1 | 7 | 1 | 77 | 481.613 | 12 | ↓ |
