| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 18 | Yes |
Popular Name: 6-chloro-1,1-dioxo-N-(2,2,2-trifluoroethyl)-4H-thieno[3,2-e][1,2,4]thiadiazin-3-amine 6-chloro-1,1-dioxo-N-(2,2,2-trif…
| 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) | 2.24 | 3.04 | -15.19 | 2 | 5 | 0 | 71 | 319.717 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 2.66 | -32.51 | 1 | 5 | -1 | 73 | 318.709 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80047-1-O | Beta-TC3 (Insulinoma Cells) (cluster #1 Of 1), Other | Other | 3100 | 0.43 | Functional ≤ 10μM |
| Z80700-1-O | Beta-TC6 (Pancreatic Insulinoma Cells) (cluster #1 Of 1), Other | Other | 150 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80047 | Z80047 | Beta-TC3 (Insulinoma Cells) | 3100 | 0.43 | Functional ≤ 10μM |
| Z80700 | Z80700 | Beta-TC6 (Pancreatic Insulinoma Cells) | 150 | 0.53 | Functional ≤ 10μM |
