| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 30 | Yes |
Popular Name: 4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-N-(o-tolyl)cyclohexanecarboxamide 4-[[(2-morpholino-3,4-dioxo-cycl…
| 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) | -1.12 | 6.26 | -37.82 | 3 | 7 | 1 | 91 | 412.51 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 4.48 | -20.79 | 2 | 7 | 0 | 97 | 411.502 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.48 | 3.58 | -36.3 | 3 | 7 | 1 | 94 | 412.51 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[[(3-keto-4-morpholin-4-ium-4-ylidene-cyclobuten-1-yl)amino]methyl]-N-phenyl-cyclohexanecarboxamide](http://zinc12.docking.org/img/rings/57532.gif)