| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 27 | 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) | 6.15 | 8.55 | -11.27 | 2 | 5 | 0 | 75 | 447.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.15 | 9.05 | -49.6 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 6.36 | -45.79 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.15 | 9.47 | -49.57 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 7.97 | -106.83 | 0 | 5 | -2 | 81 | 445.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 7.05 | -44.57 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 7.28 | -108.25 | 0 | 5 | -2 | 81 | 445.338 | 4 | ↓ |
