| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | 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) | 1.37 | 7.08 | -37.84 | 2 | 5 | 1 | 47 | 281.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 5.84 | -5.88 | 1 | 5 | 0 | 42 | 280.416 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 7.21 | -89.37 | 3 | 5 | 2 | 48 | 282.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
