| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 32 | 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) | 5.37 | 12.29 | -60.74 | 3 | 6 | 1 | 72 | 443.656 | 11 | ↓ |
| Hi High (pH 8-9.5) | 5.37 | 10.3 | -17.27 | 2 | 6 | 0 | 70 | 442.648 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 5.37 | 12.51 | -112.3 | 4 | 6 | 2 | 73 | 444.664 | 11 | ↓ |
