| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 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) | 1.97 | 5.75 | -61.27 | 1 | 8 | -1 | 98 | 452.531 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 8.02 | -74.71 | 2 | 8 | 0 | 99 | 453.539 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 7.27 | -56.99 | 3 | 8 | 1 | 96 | 454.547 | 7 | ↓ |
