| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 27 | 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) | 2.19 | 6.22 | -44.92 | 3 | 8 | 1 | 92 | 377.465 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.23 | -17.49 | 2 | 8 | 0 | 91 | 376.457 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 5.14 | -39.46 | 2 | 8 | 0 | 98 | 376.457 | 9 | ↓ |
