| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 30 | Yes |
Popular Name: [(1R)-1-(diethylaminomethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl] [(1R)-1-(diethylaminomethyl)-2-[…
| 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) | 3.03 | 8.84 | -50.78 | 2 | 7 | 1 | 89 | 495.419 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 7.76 | -49.97 | 1 | 7 | 0 | 91 | 494.411 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Benzoic Acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl Ester](http://zinc12.docking.org/img/rings/122136.gif)