| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 18 | 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) | 0.28 | 4.56 | -103.36 | 5 | 6 | 2 | 85 | 250.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.89 | 2.14 | -14.24 | 4 | 6 | 0 | 84 | 248.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.28 | 2.19 | -40.45 | 4 | 6 | 1 | 84 | 249.342 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
