| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 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) | 3.60 | 9.14 | -63.57 | 0 | 8 | -1 | 105 | 453.858 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 9.42 | -17.21 | 0 | 8 | 0 | 99 | 454.866 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 8.74 | -25.53 | 1 | 8 | 0 | 102 | 454.866 | 5 | ↓ |
