| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 23 | Yes |
| 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) | 2.37 | 6.95 | -44.56 | 3 | 5 | 1 | 62 | 335.497 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 5.85 | -57.02 | 3 | 5 | 1 | 66 | 335.497 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 4.82 | -44.7 | 2 | 5 | 0 | 69 | 334.489 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 4.81 | -10.03 | 2 | 5 | 0 | 61 | 334.489 | 7 | ↓ |
