| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | No |
None
None
| 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) | 4.23 | 8.87 | -40.24 | 2 | 5 | 1 | 58 | 413.925 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 7.35 | -40.17 | 0 | 5 | -1 | 60 | 411.909 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 9.63 | -48.77 | 1 | 5 | 0 | 61 | 412.917 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 6.59 | -6.62 | 1 | 5 | 0 | 57 | 412.917 | 4 | ↓ |
