| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 21 | 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) | 3.18 | 7.67 | -55.05 | 3 | 4 | 1 | 62 | 306.455 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.4 | -10.72 | 2 | 4 | 0 | 58 | 305.447 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 6.65 | -43.27 | 2 | 4 | 0 | 65 | 305.447 | 4 | ↓ |
