| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2008 | 30 | 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) | 1.76 | 1.47 | -65.38 | 1 | 9 | -1 | 156 | 424.414 | 4 | ↓ |
| Ref Reference (pH 7) | 1.76 | 2.87 | -70.39 | 1 | 9 | -1 | 156 | 424.414 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 0.46 | -119.46 | 0 | 9 | -2 | 160 | 423.406 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | -1.14 | -109.34 | 0 | 9 | -2 | 160 | 423.406 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 4.88 | -33.8 | 2 | 9 | 0 | 150 | 425.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.76 | 0.68 | -32.42 | 2 | 9 | 0 | 154 | 425.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 3.47 | -29.19 | 2 | 9 | 0 | 150 | 425.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.76 | 2.1 | -36.89 | 2 | 9 | 0 | 154 | 425.422 | 4 | ↓ |
