| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 37 | 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) | 1.96 | 14.36 | -65.62 | 2 | 8 | -1 | 134 | 517.48 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 11.48 | -130.46 | 1 | 8 | -2 | 130 | 516.472 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 13.4 | -129.97 | 1 | 8 | -2 | 130 | 516.472 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 12.35 | -29.36 | 3 | 8 | 0 | 131 | 518.488 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 11.55 | -42.74 | 3 | 8 | 0 | 131 | 518.488 | 8 | ↓ |
