| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 43 | 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) | 6.05 | 16.95 | -200.14 | 8 | 5 | 3 | 73 | 584.917 | 18 | ↓ |
| Hi High (pH 8-9.5) | 6.05 | 16.04 | -128.56 | 7 | 5 | 2 | 68 | 583.909 | 18 | ↓ |
| Lo Low (pH 4.5-6) | 6.05 | 17.76 | -368.69 | 9 | 5 | 4 | 77 | 585.925 | 18 | ↓ |
