| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 35 | 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) | 5.04 | 13.94 | -20.36 | 2 | 5 | 0 | 71 | 483.637 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.22 | 13 | -65.78 | 1 | 5 | -1 | 77 | 482.629 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.99 | -2.09 | -11.46 | 1 | 5 | 0 | 71 | 483.637 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.15 | -2.13 | -9.85 | 1 | 5 | 0 | 71 | 483.637 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.99 | -1.96 | -36.23 | 2 | 5 | 1 | 72 | 484.645 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.99 | -1.03 | -32.84 | 2 | 5 | 1 | 72 | 484.645 | 4 | ↓ |
