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

Analogs

5710158
5710158
5953032
5953032
5954345
5954345
32117060
32117060

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Popular Name: 5-acetyl-2-[[(E)-(2-chlorobenzylidene)amino]carbamoylamino]-4-methyl-thiophene-3-carboxylic-acid-eth 5-acetyl-2-[[(E)-(2-chlorobenzyl…

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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) 4.48 -0.45 -14.21 2 7 0 96 407.879 7 ↓

Analogs

5710158
5710158
5951899
5951899
5953028
5953028
5953032
5953032
5954345
5954345

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Popular Name: 5-acetyl-2-[[(E)-(4-chlorobenzylidene)amino]carbamoylamino]-4-methyl-thiophene-3-carboxylic-acid-eth 5-acetyl-2-[[(E)-(4-chlorobenzyl…

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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) 4.53 -0.74 -12.53 2 7 0 96 407.879 7 ↓

Analogs

31776151
31776151

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Popular Name: 5-acetyl-2-[[(E)-(2,5-dimethoxybenzylidene)amino]carbamoylamino]-4-methyl-thiophene-3-carboxylic-aci 5-acetyl-2-[[(E)-(2,5-dimethoxyb…

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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) 3.89 -0.41 -16.28 2 9 0 115 433.486 9 ↓

Analogs

32223338
32223338

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Popular Name: 5-acetyl-2-[[(E)-(2,3-dimethoxybenzylidene)amino]carbamoylamino]-4-methyl-thiophene-3-carboxylic-aci 5-acetyl-2-[[(E)-(2,3-dimethoxyb…

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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) 3.67 0.19 -15.97 2 9 0 115 433.486 9 ↓

Analogs

5710158
5710158
5953032
5953032
5954345
5954345

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetyl-2-[[(E)-(4-ethoxybenzylidene)amino]carbamoylamino]-4-methyl-thiophene-3-carboxylic-acid-eth 5-acetyl-2-[[(E)-(4-ethoxybenzyl…

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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) 4.28 -0.59 -12.97 2 8 0 106 417.487 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.19 5.53 -15.58 3 9 0 126 419.459 8 ↓

Analogs

32223338
32223338

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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) 3.39 -1.91 -15.59 3 9 0 126 419.459 8 ↓

Analogs

5953032
5953032

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetyl-2-[[(E)-[4-(diethylamino)benzylidene]amino]carbamoylamino]-4-methyl-thiophene-3-carboxylic- 5-acetyl-2-[[(E)-[4-(diethylamin…

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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) 4.70 -0.05 -11.94 2 8 0 100 444.557 10 ↓

Parameters Provided:

ring.id = 221728
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 = 221728 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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