| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 34 | 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 | 7.27 | -18.92 | 3 | 8 | 0 | 104 | 472.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.39 | 5.35 | -19.54 | 3 | 8 | 0 | 112 | 472.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.25 | 5.52 | -57.33 | 2 | 8 | -1 | 107 | 471.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 6.7 | -38.87 | 4 | 8 | 1 | 105 | 473.41 | 5 | ↓ |
