| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 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) | 3.72 | 6.51 | -13.49 | 3 | 8 | 0 | 108 | 440.544 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 3.86 | -45.77 | 2 | 8 | -1 | 114 | 439.536 | 6 | ↓ |
