| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2007 | 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) | 1.72 | 7.59 | -58.8 | 2 | 8 | 1 | 93 | 452.531 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 8.24 | -70.71 | 1 | 8 | 1 | 90 | 452.531 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 7.55 | -119.63 | 3 | 8 | 2 | 95 | 453.539 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 8.52 | -122.49 | 2 | 8 | 2 | 91 | 453.539 | 8 | ↓ |
