| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 33 | 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) | 3.14 | 8.3 | -74.04 | 2 | 8 | 0 | 104 | 454.523 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 9.33 | -133.17 | 1 | 8 | -1 | 106 | 453.515 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.12 | -136.27 | 0 | 8 | -2 | 105 | 452.507 | 10 | ↓ |
