| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2008 | 33 | 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) | 2.17 | 6.87 | -76.46 | 2 | 8 | 0 | 104 | 458.486 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 5.59 | -64.71 | 3 | 8 | 1 | 101 | 459.494 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.58 | -66.6 | 2 | 8 | 1 | 98 | 459.494 | 9 | ↓ |
