| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 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) | -0.49 | 7.69 | -130.34 | 5 | 7 | 1 | 111 | 454.638 | 12 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 7.37 | -70.24 | 4 | 7 | 0 | 109 | 453.63 | 12 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 5.4 | -87.93 | 4 | 7 | 0 | 109 | 453.63 | 12 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 5.09 | -65.67 | 3 | 7 | -1 | 108 | 452.622 | 12 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | 7.42 | -89.58 | 4 | 7 | -1 | 109 | 452.622 | 12 | ↓ |
