| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2010 | 44 | 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) | 7.22 | 19.12 | -214.62 | 8 | 5 | 3 | 73 | 600.96 | 22 | ↓ |
| Hi High (pH 8-9.5) | 7.22 | 18.01 | -113.5 | 7 | 5 | 2 | 68 | 599.952 | 22 | ↓ |
| Lo Low (pH 4.5-6) | 7.22 | 20.19 | -360.59 | 9 | 5 | 4 | 77 | 601.968 | 22 | ↓ |
