| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 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) | 2.79 | 6.06 | -44.74 | 1 | 8 | -1 | 102 | 479.553 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 8.32 | -52.07 | 2 | 8 | 0 | 104 | 480.561 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 7.58 | -45.06 | 3 | 8 | 1 | 101 | 481.569 | 8 | ↓ |
