| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 25 | Yes |
Popular Name: (2S)-N-(1-cyanocyclohexyl)-2-[(4-ethoxyphenyl)methyl-methyl-amino]propanamide (2S)-N-(1-cyanocyclohexyl)-2-[(4…
| 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) | 3.37 | 8.66 | -49.39 | 2 | 5 | 1 | 67 | 344.479 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 6.62 | -30.85 | 1 | 5 | 0 | 73 | 343.471 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 6.36 | -15.84 | 1 | 5 | 0 | 65 | 343.471 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 4.38 | -43.53 | 0 | 5 | -1 | 72 | 342.463 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
