| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 30 | 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) | 2.71 | 0.83 | -14.13 | 1 | 8 | 0 | 117 | 444.538 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | -0.82 | -12.75 | 1 | 8 | 0 | 117 | 444.538 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 0.01 | -12.34 | 1 | 8 | 0 | 117 | 444.538 | 8 | ↓ |
