| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 34 | No |
| 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) | 6.65 | 8.53 | -16.61 | 2 | 6 | 0 | 84 | 452.51 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.65 | 9 | -100.3 | 0 | 6 | -2 | 89 | 450.494 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.65 | 9.3 | -60.03 | 1 | 6 | -1 | 86 | 451.502 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.65 | 8.17 | -58.49 | 1 | 6 | -1 | 86 | 451.502 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.65 | 8.17 | -51.25 | 1 | 6 | -1 | 86 | 451.502 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.65 | 7.82 | -43.35 | 3 | 6 | 1 | 85 | 453.518 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.65 | 9.01 | -40.04 | 3 | 6 | 1 | 85 | 453.518 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 6.65 | 7.66 | -39.9 | 3 | 6 | 1 | 85 | 453.518 | 7 | ↓ |
