| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 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) | 1.26 | 3.96 | -68.15 | 1 | 9 | -1 | 115 | 452.487 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 6.29 | -88.51 | 2 | 9 | 0 | 116 | 453.495 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 4.98 | -134.79 | 0 | 9 | -2 | 118 | 451.479 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 7.32 | -145.12 | 1 | 9 | -1 | 119 | 452.487 | 8 | ↓ |
