| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 19 | Yes |
Popular Name: (2R,3aS,7aS)-N-(4-bromophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-(4-bromophenyl)-2…
| 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) | 4.50 | 6.67 | -42.2 | 3 | 3 | 1 | 46 | 324.242 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 5.43 | -8.07 | 2 | 3 | 0 | 41 | 323.234 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
