| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 30 | 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) | 3.78 | 9.66 | -73.07 | 2 | 6 | 0 | 85 | 428.916 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 10.68 | -127.11 | 1 | 6 | -1 | 88 | 427.908 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 8.35 | -128.5 | 0 | 6 | -2 | 87 | 426.9 | 8 | ↓ |
