| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 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) | 4.55 | 10.75 | -72.63 | 2 | 7 | 0 | 94 | 480.605 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.55 | 8.43 | -60.12 | 1 | 7 | -1 | 93 | 479.597 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.00 | 10.85 | -45.25 | 3 | 7 | 1 | 92 | 481.613 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | -0.31 | -47.01 | 2 | 7 | 1 | 88 | 481.613 | 12 | ↓ |
