| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 31 | Yes |
| 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) | -0.46 | 4.57 | -48.38 | 2 | 9 | 1 | 96 | 450.585 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.46 | 2.2 | -20.27 | 1 | 9 | 0 | 95 | 449.577 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
