| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 29 | 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) | 4.04 | 5.22 | -43.56 | 1 | 7 | -1 | 104 | 478.706 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 6.01 | -101.31 | 0 | 7 | -2 | 107 | 477.698 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 6.99 | -12.67 | 2 | 7 | 0 | 101 | 479.714 | 4 | ↓ |
