| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2007 | 38 | 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) | 3.78 | 11.13 | -80.11 | 2 | 8 | 0 | 104 | 516.594 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 8.6 | -61.47 | 1 | 8 | -1 | 102 | 515.586 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | -0.18 | -49.98 | 2 | 8 | 1 | 97 | 517.602 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.22 | 10.54 | -48.25 | 3 | 8 | 1 | 101 | 517.602 | 9 | ↓ |
