| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 28 | 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) | 5.58 | 8.77 | -46.89 | 1 | 5 | -1 | 77 | 467.246 | 3 | ↓ |
| Mid Mid (pH 6-8) | 6.98 | 5.3 | -112.28 | 0 | 5 | -2 | 84 | 466.238 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.52 | 7.75 | -46.31 | 1 | 5 | -1 | 81 | 467.246 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.52 | 7.48 | -43.55 | 1 | 5 | -1 | 81 | 467.246 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.52 | 7.06 | -44.8 | 1 | 5 | -1 | 81 | 467.246 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.98 | 5.99 | -108.54 | 0 | 5 | -2 | 84 | 466.238 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.52 | 7.06 | -49.79 | 1 | 5 | -1 | 81 | 467.246 | 2 | ↓ |
| Mid Mid (pH 6-8) | 6.03 | 7 | -109.46 | 0 | 5 | -2 | 80 | 466.238 | 3 | ↓ |
