| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 32 | No |
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) | -0.99 | 0.16 | -47.54 | 2 | 10 | -1 | 159 | 461.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.99 | 0.95 | -110.03 | 1 | 10 | -2 | 162 | 460.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.99 | 1.72 | -173.28 | 0 | 10 | -3 | 165 | 459.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
