| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 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) | 0.49 | 3.82 | -59.2 | 0 | 8 | -1 | 99 | 396.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 6.63 | -52.53 | 2 | 8 | 1 | 97 | 398.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 7.32 | -63.2 | 1 | 8 | 1 | 94 | 398.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 6.15 | -72.7 | 1 | 8 | 0 | 100 | 397.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 7.6 | -121.51 | 2 | 8 | 2 | 95 | 399.447 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 6.91 | -104.81 | 3 | 8 | 2 | 99 | 399.447 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 6.59 | -117.72 | 2 | 8 | 1 | 101 | 398.439 | 7 | ↓ |
