| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 20 | Yes |
| 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) | 2.18 | 5.5 | -12.51 | 1 | 5 | 0 | 83 | 287.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 5.56 | -40.06 | 0 | 5 | -1 | 85 | 286.336 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 5.92 | -37.66 | 2 | 5 | 1 | 84 | 288.352 | 4 | ↓ |
