| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 22 | Yes |
Popular Name: (9aS)-2-[(3,4-difluorophenyl)methyl]-1,3,4,9a-tetrahydropyrido[3,4-b]indole (9aS)-2-[(3,4-difluorophenyl)met…
| 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) | 3.66 | 9.82 | -115.08 | 2 | 2 | 2 | 18 | 300.352 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 7.68 | -31.06 | 1 | 2 | 1 | 17 | 299.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
