| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 21 | Yes |
Popular Name: 1-amino-N-(2-cyanoethyl)-N-(3-pyridylmethyl)cyclohexane-1-carboxamide 1-amino-N-(2-cyanoethyl)-N-(3-py…
| 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) | 0.67 | 5.5 | -54.72 | 3 | 5 | 1 | 85 | 287.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 5.23 | -13.03 | 2 | 5 | 0 | 83 | 286.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 5.95 | -115.5 | 4 | 5 | 2 | 86 | 288.395 | 5 | ↓ |
