| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 19 | No |
Popular Name: 2-[2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl]-1-phenyl-1-ethanone hydrobromide 2-[2-imino-4,5,6,7-tetrahydro-1,…
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CAS Number: 389850-23-1
| 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) | -0.81 | 8.94 | -29.57 | 2 | 3 | 1 | 47 | 273.381 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 208 - 211 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 6060 | 0.38 | Functional ≤ 10μM |
| Z80387-1-O | PC-12 (Adrenal Phaeochromacytoma Cells) (cluster #1 Of 3), Other | Other | 170 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 6060 | 0.38 | Functional ≤ 10μM |
| Z80387 | Z80387 | PC-12 (Adrenal Phaeochromacytoma Cells) | 170 | 0.50 | Functional ≤ 10μM |
