| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 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) | 0.64 | 2.57 | -48.2 | 5 | 9 | 1 | 106 | 425.51 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 5.37 | -52.89 | 5 | 9 | 1 | 108 | 425.51 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 3.19 | -22.55 | 4 | 9 | 0 | 107 | 424.502 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.80 | 1.61 | -54.42 | 5 | 9 | 1 | 106 | 425.51 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 4.78 | -127.94 | 6 | 9 | 2 | 107 | 426.518 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -3.80 | 1.9 | -137.9 | 6 | 9 | 2 | 108 | 426.518 | 7 | ↓ |
