| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 36 | 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) | 3.51 | 10.59 | -27.71 | 3 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | -2.23 | -18.83 | 2 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | -0.56 | -22.33 | 2 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | -1.81 | -17.92 | 2 | 7 | 0 | 107 | 499.571 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | -2.11 | -52.04 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | -0.61 | -51.79 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | -0.45 | -52.45 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | -1.69 | -50.06 | 3 | 7 | 1 | 108 | 500.579 | 7 | ↓ |
