| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 24 | 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) | 3.18 | 7.89 | -34.8 | 1 | 5 | -1 | 81 | 322.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 9.01 | -44.35 | 1 | 5 | -1 | 81 | 322.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 9.32 | -49.98 | 1 | 5 | -1 | 81 | 322.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 7.79 | -18.37 | 2 | 5 | 0 | 78 | 323.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 8.16 | -30.45 | 3 | 5 | 1 | 80 | 324.404 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 6.56 | -19.6 | 2 | 5 | 0 | 78 | 323.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 7.59 | -14.26 | 2 | 5 | 0 | 78 | 323.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 7.62 | -18.13 | 2 | 5 | 0 | 78 | 323.396 | 3 | ↓ |
