| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 37 | 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) | 4.74 | 10.75 | -60.09 | 0 | 8 | -1 | 101 | 515.567 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 10.64 | -22.12 | 0 | 8 | 0 | 95 | 516.575 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.18 | 9.66 | -28.86 | 1 | 8 | 0 | 98 | 516.575 | 6 | ↓ |
