In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2009 | 20 | No |
Popular Name: 1-(4-fluorophenyl)-2-[2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl]-1-ethanone 1-(4-fluorophenyl)-2-[2-imino-4,…
Find On: PubMed — Wikipedia — Google
CAS Number: 745779-99-1
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) | -0.64 | 9.01 | -32.41 | 2 | 3 | 1 | 47 | 291.371 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80387-1-O | PC-12 (Adrenal Phaeochromacytoma Cells) (cluster #1 Of 3), Other | Other | 380 | 0.45 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80387 | Z80387 | PC-12 (Adrenal Phaeochromacytoma Cells) | 380 | 0.45 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.