| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2008 | 28 | 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) | 3.25 | 10.59 | -70.98 | 1 | 5 | 0 | 65 | 402.853 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 8.06 | -51.56 | 0 | 5 | -1 | 64 | 401.845 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 9.77 | -55.43 | 2 | 5 | 1 | 62 | 403.861 | 6 | ↓ |
