| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2011 | 27 | Yes |
Popular Name: 4-amino-N-isobutyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]isothiazole-3-carboxamide 4-amino-N-isobutyl-5-[4-(2-pyrid…
| 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) | 1.40 | 4.76 | -38.6 | 4 | 8 | 1 | 106 | 389.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 4.44 | -10.28 | 3 | 8 | 0 | 104 | 388.497 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Isothiazol-5-yl-[4-(2-pyridyl)piperazino]methanone](http://zinc12.docking.org/img/rings/516387.gif)