| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 15 | No |
| 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) | 1.15 | 2.36 | -39.75 | 2 | 4 | 1 | 40 | 214.333 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 0.07 | -5.52 | 1 | 4 | 0 | 39 | 213.325 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 4.65 | -117.96 | 3 | 4 | 2 | 41 | 215.341 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
