| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 19 | 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) | 1.94 | 4.6 | -51.5 | 3 | 5 | 1 | 66 | 262.333 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 2.41 | -15.25 | 2 | 5 | 0 | 65 | 261.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 5.65 | -72.2 | 2 | 5 | 0 | 69 | 261.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 3.46 | -63.68 | 1 | 5 | -1 | 68 | 260.317 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
