| 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) | 3.45 | 8.94 | -51.41 | 2 | 7 | 1 | 72 | 448.543 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 9.52 | -55.44 | 1 | 7 | 0 | 75 | 447.535 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 7.15 | -47.74 | 0 | 7 | -1 | 74 | 446.527 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 6.57 | -13.19 | 1 | 7 | 0 | 71 | 447.535 | 4 | ↓ |
