| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 38 | 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) | 4.05 | 10.41 | -61.84 | 0 | 8 | -1 | 90 | 515.634 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 13.63 | -83.96 | 2 | 8 | 2 | 87 | 518.658 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 12.89 | -91.75 | 3 | 8 | 2 | 90 | 518.658 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 13.21 | -54.57 | 1 | 8 | 1 | 85 | 517.65 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 12.46 | -48.75 | 2 | 8 | 1 | 89 | 517.65 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 12.74 | -73.56 | 1 | 8 | 0 | 91 | 516.642 | 8 | ↓ |
