| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 32 | No |
None
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) | 3.59 | 7.57 | -44.13 | 2 | 7 | 1 | 77 | 457.934 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 5.77 | -43.5 | 0 | 7 | -1 | 78 | 455.918 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 5.21 | -9.7 | 1 | 7 | 0 | 75 | 456.926 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 8.15 | -47.61 | 1 | 7 | 0 | 79 | 456.926 | 3 | ↓ |
