| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 22 | Yes |
Popular Name: 3,6-dihydro-2H-pyridin-1-yl-[5-[(4-ethylpiperazin-1-yl)methyl]isoxazol-3-yl]methanone 3,6-dihydro-2H-pyridin-1-yl-[5-[…
| 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) | 1.06 | 6.05 | -38.86 | 1 | 6 | 1 | 54 | 305.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 3.77 | -6.66 | 0 | 6 | 0 | 53 | 304.394 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,6-dihydro-2H-pyridin-1-yl-[5-(piperazinomethyl)isoxazol-3-yl]methanone](http://zinc12.docking.org/img/rings/527017.gif)