| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 26 | 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) | 1.60 | 8.28 | -17.77 | 1 | 8 | 0 | 106 | 351.366 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 7.66 | -49.47 | 1 | 8 | 1 | 105 | 352.374 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 7.03 | -35.6 | 0 | 8 | -1 | 112 | 350.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.16 | -27.7 | 1 | 8 | 0 | 109 | 351.366 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.16 | -18.21 | 1 | 8 | 0 | 109 | 351.366 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 7.94 | -114.94 | 2 | 8 | 2 | 107 | 353.382 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 8.75 | -60.11 | 2 | 8 | 1 | 107 | 352.374 | 5 | ↓ |
