| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2005 | 28 | 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) | 3.08 | 11.33 | -13.03 | 0 | 4 | 0 | 68 | 402.918 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 10 | -36.84 | 1 | 4 | -1 | 77 | 401.91 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 11.81 | -111.37 | 0 | 4 | -2 | 80 | 400.902 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.25 | 10.46 | -55.49 | 1 | 4 | -1 | 77 | 401.91 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 11.94 | -42.31 | 0 | 4 | -1 | 74 | 401.91 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.66 | 12.59 | -38.99 | 0 | 4 | -1 | 74 | 401.91 | 3 | ↓ |
