| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 36 | 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 | 9.77 | -61.16 | 0 | 8 | -1 | 90 | 487.58 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 12.37 | -85.9 | 2 | 8 | 2 | 87 | 490.604 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 12.5 | -93.25 | 3 | 8 | 2 | 90 | 490.604 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 12.09 | -44.57 | 2 | 8 | 1 | 89 | 489.596 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 11.95 | -54.21 | 1 | 8 | 1 | 85 | 489.596 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 12.12 | -72.88 | 1 | 8 | 0 | 91 | 488.588 | 7 | ↓ |
