| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 36 | Yes |
| 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) | 3.73 | 8.69 | -15.79 | 2 | 8 | 0 | 101 | 484.556 | 7 | ↓ |
| Ref Reference (pH 7) | 3.73 | 8.61 | -17.83 | 2 | 8 | 0 | 101 | 484.556 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 9.46 | -44.25 | 1 | 8 | -1 | 103 | 483.548 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 9.51 | -62.22 | 0 | 8 | -1 | 99 | 483.548 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 9.03 | -53.51 | 0 | 8 | -1 | 99 | 483.548 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 9.02 | -42.03 | 3 | 8 | 1 | 102 | 485.564 | 7 | ↓ |
