| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2010 | 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) | 3.22 | 4.24 | -51.89 | 2 | 8 | 1 | 95 | 444.533 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 2.75 | -47.24 | 1 | 8 | 0 | 97 | 443.525 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 1.77 | -13.17 | 1 | 8 | 0 | 94 | 443.525 | 7 | ↓ |
