| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2011 | 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) | -0.81 | 2.74 | -60.48 | 4 | 10 | -1 | 164 | 456.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 2.46 | -64.31 | 4 | 10 | -1 | 164 | 456.475 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.54 | 3.46 | -131.97 | 3 | 10 | -2 | 167 | 455.467 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 2.1 | -133.7 | 4 | 10 | -2 | 170 | 455.467 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 4.67 | -77.79 | 5 | 10 | 0 | 165 | 457.483 | 3 | ↓ |
