| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 29 | No |
Popular Name: 3-[(1-benzyl-4-piperidyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione 3-[(1-benzyl-4-piperidyl)amino]-…
| 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) | 3.06 | 12.08 | -52.49 | 1 | 4 | 0 | 51 | 389.519 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 9.84 | -7.06 | 0 | 4 | 0 | 50 | 388.511 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 9.79 | -8.57 | 0 | 4 | 0 | 50 | 388.511 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 12.03 | -64.47 | 1 | 4 | 0 | 51 | 389.519 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(1-benzyl-4-piperidyl)imino]-4-phenyl-cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/178031.gif)