| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 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 | -10.97 | 2 | 5 | 0 | 75 | 429.712 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 5.17 | -40.59 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.10 | 7.83 | -48.81 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 5.65 | -38.29 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 6.57 | -98.81 | 0 | 5 | -2 | 81 | 427.696 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.10 | 8.11 | -48.66 | 1 | 5 | -1 | 78 | 428.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.56 | 6.08 | -101.54 | 0 | 5 | -2 | 81 | 427.696 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.61 | 8.06 | -93.06 | 0 | 5 | -2 | 76 | 427.696 | 4 | ↓ |
