| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: 5-methyl-2-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetyl]isoxazol-3-one 5-methyl-2-[2-(2,3,4,5-tetrahydr…
| 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) | 1.14 | 7.14 | -60.39 | 2 | 6 | 1 | 72 | 288.327 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 5.89 | -18.95 | 1 | 6 | 0 | 67 | 287.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetyl]-4-isoxazolin-3-one](http://zinc12.docking.org/img/rings/280682.gif)