| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 40 | 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) | 4.06 | 12.96 | -50.11 | 1 | 12 | -1 | 160 | 543.56 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 13.29 | -62.42 | 2 | 12 | 0 | 162 | 544.568 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | 13.42 | -46.96 | 3 | 12 | 1 | 163 | 545.576 | 11 | ↓ |
