| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 5-chloro-2-[ethyl(4-pyridylmethyl)amino]benzonitrile 5-chloro-2-[ethyl(4-pyridylmethy…
| 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) | 2.89 | 9.11 | -7.93 | 0 | 3 | 0 | 40 | 271.751 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 9.57 | -29.85 | 1 | 3 | 1 | 41 | 272.759 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
