| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2007 | 32 | 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) | 4.48 | 10.75 | -60.78 | 0 | 7 | -1 | 100 | 447.492 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.93 | 9.73 | -30.07 | 1 | 7 | 0 | 97 | 448.5 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 10.74 | -17.61 | 0 | 7 | 0 | 94 | 448.5 | 5 | ↓ |
