| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 33 | 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) | 3.78 | 7.62 | -13.6 | 1 | 7 | 0 | 77 | 448.519 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 8.21 | -46.89 | 0 | 7 | -1 | 80 | 447.511 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 9.92 | -54.41 | 2 | 7 | 1 | 78 | 449.527 | 5 | ↓ |
