| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (1S,2R,4R)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexanecarbonitrile (1S,2R,4R)-4-ethyl-2-(1,3,4,5-te…
| 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 | 11.56 | -46.36 | 1 | 2 | 1 | 28 | 283.439 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 9.78 | -9.49 | 0 | 2 | 0 | 27 | 282.431 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
