| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2005 | 33 | 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) | 1.85 | -1.45 | -52.23 | 2 | 8 | 1 | 97 | 448.499 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | -1.63 | -60.12 | 1 | 8 | 1 | 94 | 448.499 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | -1.72 | -115.56 | 3 | 8 | 2 | 98 | 449.507 | 6 | ↓ |
