| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3R)-3-[methyl-[2-(4-pyridyl)ethyl]amino]-3-phenyl-propanenitrile (3R)-3-[methyl-[2-(4-pyridyl)eth…
| 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) | 1.90 | 7.65 | -8.81 | 0 | 3 | 0 | 40 | 265.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 8.11 | -34.2 | 1 | 3 | 1 | 41 | 266.368 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Benzyl-[2-(4-pyridyl)ethyl]amine](http://zinc12.docking.org/img/rings/12165.gif)