| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 40 | No |
None
| 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) | 1.68 | 6.46 | -55.64 | 6 | 10 | 0 | 175 | 548.592 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 6.79 | -122.02 | 4 | 10 | 0 | 170 | 547.584 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 7.78 | -88.06 | 3 | 10 | 0 | 173 | 546.576 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 9.45 | -80.98 | 4 | 10 | 0 | 174 | 547.584 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 4.43 | -58.57 | 5 | 10 | -1 | 173 | 547.584 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 8.46 | -63.46 | 5 | 10 | 0 | 171 | 548.592 | 6 | ↓ |
