| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2013 | 60 | 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) | 5.14 | 17.02 | -121.72 | 4 | 14 | 2 | 166 | 824.972 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.14 | 13.45 | -17.82 | 2 | 14 | 0 | 163 | 822.956 | 10 | ↓ |
| Mid Mid (pH 6-8) | 5.14 | 16.03 | -63.05 | 3 | 14 | 1 | 165 | 823.964 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.