| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 31 | 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) | 1.14 | 9.07 | -73.66 | 1 | 8 | 0 | 96 | 425.485 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 6.54 | -52.91 | 0 | 8 | -1 | 95 | 424.477 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 7.78 | -63.02 | 2 | 8 | 1 | 93 | 426.493 | 9 | ↓ |
