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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (NZ,E)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-3-(2-thienyl)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) 5.12 0.08 -11.13 0 4 0 44 344.461 4 ↓

Analogs

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Popular Name: (NZ,E)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(2-thienyl)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) 5.50 0.1 -10.72 0 4 0 44 358.488 5 ↓

Analogs

12032884
12032884
9078569
9078569
8998270
8998270

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Popular Name: (NZ,E)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thienyl)prop-2-enamid (NZ,E)-N-[4-fluoro-3-(2-methoxye…

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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) 4.92 0.06 -12.53 0 7 0 89 407.448 6 ↓

Analogs

12032882
12032882
9078637
9078637

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Popular Name: (NZ,E)-N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thienyl)prop-2-enamide (NZ,E)-N-[3-(2-ethoxyethyl)-4-fl…

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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) 5.30 10.74 -12.44 0 7 0 89 421.475 7 ↓

Analogs

13628763
13628763

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Popular Name: (NZ,E)-N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)prop-2-enamide (NZ,E)-N-(3-allyl-4-fluoro-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) 5.58 0.97 -11.87 0 6 0 80 389.433 5 ↓

Analogs

13628858
13628858

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Popular Name: (NZ,E)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)prop-2-enamide (NZ,E)-N-(4-fluoro-3-prop-2-ynyl…

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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) 5.10 1.28 -13.53 0 6 0 80 387.417 4 ↓

Analogs

9078793
9078793
9077378
9077378

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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) 4.80 10.15 -15.37 0 8 0 106 421.431 6 ↓

Analogs

9078864
9078864
9078148
9078148

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Popular Name: ethyl ethyl

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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) 5.18 11.06 -15.09 0 8 0 106 435.458 7 ↓

Analogs

4252836
4252836

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Popular Name: (NZ,E)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-thienyl)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) 5.37 -1.19 -9.8 0 3 0 34 334.853 2 ↓

Analogs

36631545
36631545
36631546
36631546
36631899
36631899
39721364
39721364

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Popular Name: (NZ,E)-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)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) 5.45 -0.82 -11.88 0 6 0 80 379.85 3 ↓

Parameters Provided:

ring.id = 81603
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 = 81603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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