| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 20 | 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) | 4.41 | 5.6 | -7.83 | 2 | 3 | 0 | 53 | 269.344 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 6.52 | -50.37 | 1 | 3 | -1 | 56 | 268.336 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 5.36 | -41.77 | 1 | 3 | -1 | 56 | 268.336 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.41 | 6.07 | -31.89 | 3 | 3 | 1 | 54 | 270.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.41 | 4.87 | -33.75 | 3 | 3 | 1 | 54 | 270.352 | 3 | ↓ |
