| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 28 | Yes |
Popular Name: [5-[[benzyl(methyl)amino]methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[[benzyl(methyl)amino]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) | 3.94 | 12.01 | -46.32 | 1 | 5 | 1 | 51 | 380.512 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 9.69 | -7.53 | 0 | 5 | 0 | 50 | 379.504 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[5-[(benzylamino)methyl]isoxazol-3-yl]-BLAHyl-methanone](http://zinc12.docking.org/img/rings/526316.gif)