| 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) | 2.83 | 6.14 | -43.99 | 2 | 8 | 1 | 86 | 455.531 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 4.52 | -46.14 | 0 | 8 | -1 | 87 | 453.515 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 6.9 | -53.14 | 1 | 8 | 0 | 89 | 454.523 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 3.77 | -11.58 | 1 | 8 | 0 | 85 | 454.523 | 6 | ↓ |
