| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2010 | 29 | 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) | 1.52 | 5.57 | -43.77 | 5 | 12 | 1 | 166 | 398.407 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 3.35 | -18.74 | 4 | 12 | 0 | 165 | 397.399 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 3.98 | -87.07 | 6 | 12 | 2 | 163 | 399.415 | 6 | ↓ |
