| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 35 | 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) | 4.38 | 9.4 | -11.62 | 2 | 7 | 0 | 91 | 466.541 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 10.6 | -47 | 0 | 7 | -1 | 90 | 465.533 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 10.12 | -56.93 | 0 | 7 | -1 | 90 | 465.533 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.38 | 10.38 | -39.55 | 1 | 7 | -1 | 94 | 465.533 | 7 | ↓ |
