| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2005 | 30 | 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) | 4.89 | 15.38 | -16.16 | 1 | 5 | 0 | 60 | 416.55 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.07 | 15.26 | -44.32 | 0 | 5 | -1 | 61 | 415.542 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.23 | 15.65 | -26.41 | 2 | 5 | 1 | 65 | 417.558 | 4 | ↓ |
