| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 35 | 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) | 3.92 | 13.57 | -71.56 | 1 | 9 | 0 | 120 | 481.549 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 11.03 | -52.71 | 0 | 9 | -1 | 119 | 480.541 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 12.16 | -72.55 | 2 | 9 | 1 | 117 | 482.557 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 13.4 | -65.8 | 1 | 9 | 1 | 114 | 482.557 | 10 | ↓ |
