| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2008 | 28 | 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) | 2.32 | 2.38 | -48.05 | 1 | 8 | -1 | 114 | 401.782 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 3.19 | -103.71 | 0 | 8 | -2 | 117 | 400.774 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 4.15 | -12.57 | 2 | 8 | 0 | 111 | 402.79 | 4 | ↓ |
