| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2008 | 29 | 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) | 2.16 | 3.99 | -49.03 | 2 | 8 | 1 | 105 | 444.599 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 1.91 | -20.06 | 1 | 8 | 0 | 104 | 443.591 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 3.58 | -42.81 | 1 | 8 | 0 | 107 | 443.591 | 6 | ↓ |
