| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 16 | Yes |
Popular Name: (2R,3aS,7aS)-N-(2-cyanoethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-(2-cyanoethyl)-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) | 1.45 | 3.65 | -45.6 | 3 | 4 | 1 | 69 | 222.312 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 1.17 | -28.99 | 2 | 4 | 0 | 76 | 221.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 2.48 | -15.85 | 2 | 4 | 0 | 65 | 221.304 | 3 | ↓ |
