| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 16 | Yes |
None
None
| 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) | 0.92 | -0.31 | -12.33 | 3 | 5 | 0 | 86 | 222.175 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 0.44 | -40.61 | 2 | 5 | -1 | 89 | 221.167 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | -2.27 | -36.87 | 2 | 5 | -1 | 89 | 221.167 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
