| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 3rd, 2011 | 24 | Yes |
Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-[2-(2-pyridyl)ethyl]urea 1-[2-[(1R)-2-cyano-1-methyl-ethy…
| 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) | 2.29 | 7.85 | -18.63 | 2 | 5 | 0 | 78 | 340.452 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 8.2 | -43.81 | 3 | 5 | 1 | 79 | 341.46 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-phenyl-3-[2-(2-pyridyl)ethyl]urea](http://zinc12.docking.org/img/rings/3746.gif)