| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 21 | Yes |
Popular Name: 5-chloro-2-[2-cyanoethyl(3-pyridylmethyl)amino]benzonitrile 5-chloro-2-[2-cyanoethyl(3-pyrid…
| 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) | 2.02 | 9.74 | -10.02 | 0 | 4 | 0 | 64 | 296.761 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 10.21 | -46.28 | 1 | 4 | 1 | 65 | 297.769 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
