| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 18 | Yes |
Popular Name: 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]isoindolin-4-amine 2-[(1R,2R,4R)-2,4-dimethylcycloh…
| 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) | 2.92 | 8.02 | -32.65 | 3 | 2 | 1 | 30 | 245.39 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 5.79 | -2.61 | 2 | 2 | 0 | 29 | 244.382 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
