| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 25 | Yes |
Popular Name: 5-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]pentanenitrile 5-[4-[2-(3,4-dihydro-2H-quinolin…
| 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) | 2.03 | 9.83 | -53.34 | 1 | 5 | 1 | 52 | 341.479 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 7.54 | -16.14 | 0 | 5 | 0 | 51 | 340.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
