| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 25 | Yes |
Popular Name: (9aR)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (9aR)-2-[(7-methoxy-1,3-benzodio…
| 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) | 3.08 | 7.62 | -116.01 | 2 | 5 | 2 | 46 | 338.407 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.49 | -33.59 | 1 | 5 | 1 | 45 | 337.399 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
