| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 25 | No |
Popular Name: 3-[3-[benzyl(methyl)amino]propylamino]-4-phenyl-cyclobut-3-ene-1,2-dione 3-[3-[benzyl(methyl)amino]propyl…
| 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) | 2.22 | 9.86 | -56.81 | 1 | 4 | 0 | 51 | 335.427 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 7.54 | -7.54 | 0 | 4 | 0 | 50 | 334.419 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 7.51 | -9.59 | 0 | 4 | 0 | 50 | 334.419 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 9.83 | -70.64 | 1 | 4 | 0 | 51 | 335.427 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[3-(benzylamino)propylimino]-4-phenyl-cyclobutane-1,2-quinone](http://zinc12.docking.org/img/rings/178014.gif)