| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 31 | Yes |
Popular Name: N-(4-acetylphenyl)-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]benzamide N-(4-acetylphenyl)-4-[[(3,4-diox…
| 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) | -0.63 | 3.96 | -45.02 | 3 | 7 | 1 | 102 | 418.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 6.27 | -16.29 | 2 | 7 | 0 | 99 | 417.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 5.53 | -115.92 | 4 | 7 | 2 | 104 | 419.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 4.75 | -28.1 | 2 | 7 | 0 | 105 | 417.465 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 5.34 | -25.4 | 2 | 7 | 0 | 105 | 417.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-phenyl-4-[[(4-pyrrolidin-1-ium-1-ylidenecyclobut-2-en-1-ylidene)amino]methyl]benzamide](http://zinc12.docking.org/img/rings/57047.gif)