| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: 5-chloro-2-[methyl(3-pyridylmethyl)amino]benzonitrile 5-chloro-2-[methyl(3-pyridylmeth…
| 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) | 2.56 | 8.08 | -8.26 | 0 | 3 | 0 | 40 | 257.724 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.56 | 8.54 | -29.46 | 1 | 3 | 1 | 41 | 258.732 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
