| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 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) | 6.10 | 6.92 | -10.24 | 2 | 5 | 0 | 75 | 429.712 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.10 | 7.83 | -42.07 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 5.13 | -40.36 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 4.57 | -42.24 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 5.49 | -91.28 | 0 | 5 | -2 | 81 | 427.696 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.10 | 7.49 | -41 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 6.05 | -90.56 | 0 | 5 | -2 | 81 | 427.696 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.61 | 7.73 | -86.77 | 0 | 5 | -2 | 76 | 427.696 | 4 | ↓ |
