| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 31 | No |
None
| 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) | 3.22 | 7.29 | -27.56 | 1 | 7 | 0 | 79 | 442.899 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.5 | -48.08 | 1 | 7 | 0 | 79 | 442.899 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 4.89 | -43.81 | 0 | 7 | -1 | 78 | 441.891 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 6.56 | -43.19 | 2 | 7 | 1 | 77 | 443.907 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 4.56 | -9.76 | 1 | 7 | 0 | 75 | 442.899 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 6.5 | -43.13 | 2 | 7 | 1 | 77 | 443.907 | 3 | ↓ |
