| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 24 | Yes |
Popular Name: (9aS)-2-[(2,5-dimethoxyphenyl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (9aS)-2-[(2,5-dimethoxyphenyl)me…
| 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) | 3.45 | 8.52 | -96.85 | 2 | 4 | 2 | 37 | 324.424 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 6.28 | -26.2 | 1 | 4 | 1 | 36 | 323.416 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
