| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 33 | 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) | 5.22 | 10.03 | -10.49 | 2 | 6 | 0 | 82 | 499.785 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 9.91 | -50.85 | 0 | 6 | -1 | 81 | 498.777 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.20 | 10.05 | -46.6 | 0 | 6 | -1 | 81 | 498.777 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.22 | 10.85 | -39.77 | 1 | 6 | -1 | 85 | 498.777 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.22 | 10.82 | -45.21 | 1 | 6 | -1 | 85 | 498.777 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.22 | 9.51 | -39.48 | 3 | 6 | 1 | 83 | 500.793 | 4 | ↓ |
