| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 35 | No |
| 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) | 3.87 | 10.8 | -27.45 | 2 | 8 | 0 | 100 | 488.569 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 9.05 | -48.13 | 1 | 8 | -1 | 106 | 487.561 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]ethyl]thio]phenyl]benzamide](http://zinc12.docking.org/img/rings/111764.gif)