| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 42 | 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) | 3.85 | 11.92 | -125.82 | 4 | 8 | 2 | 91 | 587.825 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 10.62 | -48.06 | 3 | 8 | 1 | 86 | 586.817 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 8.17 | -11.63 | 2 | 8 | 0 | 85 | 585.809 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.85 | 9.47 | -41.5 | 3 | 8 | 1 | 90 | 586.817 | 9 | ↓ |
