| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 25 | No |
Popular Name: (3S)-1-amino-3-(4-bromophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile (3S)-1-amino-3-(4-bromophenyl)-3…
| 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) | 4.55 | 11.79 | -10.66 | 2 | 4 | 0 | 79 | 407.296 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3H-pyrido[2,1-b][1,3]benzothiazole](http://zinc12.docking.org/img/rings/400225.gif)
![3-phenyl-3H-pyrido[2,1-b][1,3]benzothiazole](http://zinc12.docking.org/img/rings/400224.gif)