| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 32 | 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) | 0.17 | 5 | -64.41 | 2 | 8 | -1 | 117 | 470.552 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 6.5 | -41.81 | 3 | 8 | -1 | 112 | 470.552 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 6.51 | -22.05 | 3 | 8 | 0 | 106 | 471.56 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.56 | 4.99 | -29.48 | 2 | 8 | 0 | 109 | 471.56 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 5.03 | -30.25 | 2 | 8 | 0 | 117 | 471.56 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 4.84 | -61.53 | 1 | 8 | -1 | 115 | 470.552 | 4 | ↓ |
