| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 31 | 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) | 3.14 | 8.34 | -55.56 | 3 | 7 | 1 | 93 | 444.577 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.15 | -17.53 | 2 | 7 | 0 | 92 | 443.569 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 5.67 | -49.24 | 2 | 7 | 0 | 96 | 443.569 | 10 | ↓ |
