| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 32 | 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) | 2.52 | 7.93 | -42.3 | 4 | 7 | 1 | 91 | 450.588 | 5 | ↓ |
| Ref Reference (pH 7) | 2.52 | 7.9 | -42.5 | 4 | 7 | 1 | 91 | 450.588 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 8.95 | -20.92 | 3 | 7 | 0 | 90 | 449.58 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 7.46 | -15.39 | 3 | 7 | 0 | 90 | 449.58 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 9.07 | -120.24 | 5 | 7 | 2 | 96 | 451.596 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 8.61 | -57.43 | 4 | 7 | 1 | 95 | 450.588 | 5 | ↓ |
