| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 17 | Yes |
Popular Name: (2S,3aS,7aS)-N-(2-cyanoethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-(2-cyanoethyl)-N-…
| 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) | 1.69 | 5.78 | -47.71 | 2 | 4 | 1 | 61 | 236.339 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.6 | -13.46 | 1 | 4 | 0 | 56 | 235.331 | 3 | ↓ |
