| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 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) | 4.21 | 8.92 | -14.41 | 3 | 5 | 0 | 70 | 424.576 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 7.7 | -50.71 | 2 | 5 | -1 | 76 | 423.568 | 5 | ↓ |
