| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2013 | 49 | 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) | 8.32 | 13.38 | -54.6 | 3 | 12 | -1 | 172 | 739.905 | 30 | ↓ |
| Hi High (pH 8-9.5) | 8.61 | 11.71 | -121.17 | 2 | 12 | -2 | 175 | 738.897 | 30 | ↓ |
No pre-computed analogs available. Try a structural similarity search.