| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 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 | 7.8 | -9.94 | 2 | 5 | 0 | 75 | 447.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.15 | 9.13 | -43 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 7.38 | -98.99 | 0 | 5 | -2 | 81 | 445.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 6.46 | -47.28 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 5.77 | -47.78 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.15 | 8.72 | -42.15 | 1 | 5 | -1 | 78 | 446.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.61 | 6.69 | -98.38 | 0 | 5 | -2 | 81 | 445.338 | 4 | ↓ |
