| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 33 | 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) | -1.54 | 4.86 | -48.34 | 5 | 10 | 0 | 165 | 457.483 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 4.89 | -132.74 | 3 | 10 | -2 | 167 | 455.467 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 3.89 | -62.64 | 4 | 10 | -1 | 164 | 456.475 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 3.68 | -134.48 | 4 | 10 | 0 | 164 | 456.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 4.71 | -95.74 | 3 | 10 | 0 | 167 | 455.467 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 6.35 | -92.27 | 4 | 10 | 0 | 168 | 456.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 5.34 | -72.23 | 5 | 10 | 0 | 165 | 457.483 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.81 | 2.92 | -44.96 | 6 | 10 | 0 | 163 | 458.491 | 3 | ↓ |
