| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 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) | 4.29 | 11.19 | -55.08 | 0 | 8 | -1 | 105 | 498.54 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.74 | 0.48 | -26.12 | 1 | 8 | 0 | 101 | 499.548 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 0.69 | -16.81 | 0 | 8 | 0 | 98 | 499.548 | 7 | ↓ |
