| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 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) | 4.77 | 13.02 | -73.93 | 1 | 6 | 0 | 74 | 515.448 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 10.48 | -54.79 | 0 | 6 | -1 | 73 | 514.44 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 12.78 | -45.4 | 2 | 6 | 1 | 71 | 516.456 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.19 | 0.78 | -47.43 | 1 | 6 | 1 | 68 | 516.456 | 9 | ↓ |
