| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 21 | Yes |
Popular Name: 1-[2-[(5-methyl-2-thienyl)methylamino]ethyl]quinolin-4-one 1-[2-[(5-methyl-2-thienyl)methyl…
| 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) | 1.92 | 9.66 | -71.64 | 2 | 3 | 1 | 39 | 299.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 8.31 | -15.5 | 1 | 3 | 0 | 34 | 298.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(2-thenylamino)ethyl]-4-quinolone](http://zinc12.docking.org/img/rings/77102.gif)