| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2008 | 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) | 2.14 | 3.78 | -49.85 | 2 | 9 | 1 | 114 | 474.625 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 1.71 | -23.43 | 1 | 9 | 0 | 113 | 473.617 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 3.35 | -51.07 | 1 | 9 | 0 | 116 | 473.617 | 7 | ↓ |
