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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36630929
36630929
39716926
39716926
39716953
39716953
39723236
39723236

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Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide (NZ,E)-N-(3-ethyl-4-methoxy-1,3-…

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Physical Representations

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) 5.40 0.9 -11.63 0 4 0 44 338.432 4 ↓

Analogs

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Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide (NZ,E)-N-(3-ethyl-4-methoxy-1,3-…

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Physical Representations

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) 5.34 1.42 -15.85 0 7 0 89 383.429 5 ↓

Analogs

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Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide (NZ,E)-N-(3-ethyl-4-methoxy-1,3-…

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Physical Representations

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) 5.36 1.42 -13.93 0 7 0 89 383.429 5 ↓

Analogs

8957242
8957242

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Popular Name: (NZ,E)-3-(2-chlorophenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)prop-2-enamide (NZ,E)-3-(2-chlorophenyl)-N-(3-e…

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Physical Representations

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) 5.86 0.76 -12.97 0 4 0 44 372.877 4 ↓

Analogs

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Popular Name: (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-b…

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Physical Representations

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) 5.78 0.92 -11.22 0 4 0 44 352.459 5 ↓

Analogs

8957710
8957710
8957865
8957865
8958431
8958431

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Popular Name: (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-b…

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Physical Representations

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) 5.72 11.88 -15.48 0 7 0 89 397.456 6 ↓

Analogs

8957710
8957710
8957865
8957865

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-b…

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Physical Representations

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) 5.74 1.44 -13.58 0 7 0 89 397.456 6 ↓

Analogs

36630929
36630929

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Popular Name: (NZ,E)-3-(2-chlorophenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-2-enamide (NZ,E)-3-(2-chlorophenyl)-N-(4-e…

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Physical Representations

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) 6.23 0.78 -12.73 0 4 0 44 386.904 5 ↓

Analogs

9078762
9078762
9511341
9511341

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Popular Name: methyl methyl

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Physical Representations

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) 4.96 10.8 -16.36 0 8 0 106 415.402 6 ↓

Analogs

36630716
36630716
36630718
36630718
36630924
36630924
36630927
36630927
36630935
36630935

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Popular Name: (NZ,E)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide (NZ,E)-N-(4-chloro-3-methyl-1,3-…

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Physical Representations

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) 5.65 -0.37 -10.24 0 3 0 34 328.824 2 ↓

Analogs

36630745
36630745
36630746
36630746
36631639
36631639
36631640
36631640
36688338
36688338

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Popular Name: (NZ,E)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide (NZ,E)-N-(4-chloro-3-methyl-1,3-…

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Physical Representations

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) 5.58 0.15 -14.37 0 6 0 80 373.821 3 ↓

Analogs

36630919
36630919
36630920
36630920
36631710
36631710
36631711
36631711
36688353
36688353

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Popular Name: (NZ,E)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide (NZ,E)-N-(4-chloro-3-methyl-1,3-…

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Physical Representations

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) 5.61 10.25 -12.75 0 6 0 80 373.821 3 ↓

Analogs

9009666
9009666

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,E)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-chlorophenyl)prop-2-enamide (NZ,E)-N-(4-chloro-3-methyl-1,3-…

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Physical Representations

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) 6.10 -0.51 -11.44 0 3 0 34 363.269 2 ↓

Parameters Provided:

ring.id = 76261
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 76261 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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