| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 33 | No |
None
| 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) | 3.69 | 12.89 | -123.54 | 2 | 6 | 2 | 61 | 447.579 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 10.47 | -45.2 | 1 | 6 | 1 | 60 | 446.571 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 10.95 | -50.37 | 1 | 6 | 1 | 60 | 446.571 | 3 | ↓ |
