| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 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) | 3.59 | 7.31 | -40.72 | 2 | 7 | 1 | 77 | 457.934 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 5.81 | -43.42 | 0 | 7 | -1 | 78 | 455.918 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 7.31 | -42.94 | 2 | 7 | 1 | 77 | 457.934 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 5.04 | -9.25 | 1 | 7 | 0 | 75 | 456.926 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 8.07 | -27.3 | 1 | 7 | 0 | 79 | 456.926 | 4 | ↓ |
