| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: (2R,3aR,7aS)-N,N-bis(2-cyanoethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N,N-bis(2-cyanoethy…
| 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) | 1.15 | 6.93 | -55.1 | 2 | 5 | 1 | 84 | 275.376 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 5.79 | -18.17 | 1 | 5 | 0 | 80 | 274.368 | 5 | ↓ |
