| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 29 | No |
Popular Name: 3-[4-(1-piperidylmethyl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione 3-[4-(1-piperidylmethyl)anilino]…
None
| 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) | 3.65 | 13.02 | -53.77 | 1 | 4 | 0 | 51 | 389.519 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 12.84 | -70.25 | 1 | 4 | 0 | 51 | 389.519 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-phenyl-4-[4-(piperidinomethyl)phenyl]imino-cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/179129.gif)