| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 32 | 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) | 2.32 | 3.89 | -18.59 | 4 | 10 | 0 | 149 | 432.44 | 5 | ↓ |
| Ref Reference (pH 7) | 2.78 | 1.22 | -22.72 | 4 | 10 | 0 | 149 | 432.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 2.01 | -57.69 | 3 | 10 | -1 | 152 | 431.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 2.13 | -54.14 | 3 | 10 | -1 | 152 | 431.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 1.86 | -62.9 | 3 | 10 | -1 | 152 | 431.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 1.74 | -64.55 | 3 | 10 | -1 | 152 | 431.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | -0.69 | -61.61 | 3 | 10 | -1 | 152 | 431.432 | 5 | ↓ |
