| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 24 | Yes |
Popular Name: (9aS)-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (9aS)-2-[2-(2,6,6-trimethylcyclo…
| 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) | 5.35 | 9.79 | -24.56 | 1 | 2 | 1 | 17 | 323.504 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.35 | 11.92 | -105.16 | 2 | 2 | 2 | 18 | 324.512 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
