| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2009 | 31 | 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) | 2.94 | 10.67 | -48.28 | 2 | 6 | 1 | 57 | 441.621 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 8.4 | -17.56 | 1 | 6 | 0 | 56 | 440.613 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 12.69 | -109.84 | 3 | 6 | 2 | 58 | 442.629 | 8 | ↓ |
