| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: 5-chloro-2-[[(1R)-1-(2-pyridyl)ethyl]amino]benzonitrile 5-chloro-2-[[(1R)-1-(2-pyridyl)e…
| 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) | 2.94 | 7.16 | -8.96 | 1 | 3 | 0 | 49 | 257.724 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 7.33 | -39.03 | 2 | 3 | 1 | 50 | 258.732 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
