| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2007 | 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) | 5.81 | 10.43 | -84.4 | 0 | 4 | -2 | 71 | 446.682 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | -0.63 | -71.51 | 2 | 4 | 2 | 62 | 450.714 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.27 | 13.28 | -42.25 | 1 | 4 | -1 | 65 | 447.69 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.73 | 13.86 | -11.43 | 2 | 4 | 0 | 58 | 448.698 | 9 | ↓ |
