| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 39 | 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) | 5.02 | 14.18 | -71.02 | 1 | 8 | 0 | 96 | 534.653 | 13 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 11.85 | -60.25 | 0 | 8 | -1 | 95 | 533.645 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 5.02 | 13.21 | -50.52 | 2 | 8 | 1 | 94 | 535.661 | 13 | ↓ |
