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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: 1-[5-(p-tolyl)thiazol-2-yl]piperidine-4-carboxamide 1-[5-(p-tolyl)thiazol-2-yl]piper…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 6400 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_LUCLA Q01158 Luciferase, Lucla 6400 0.35 Binding ≤ 10μM

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) 2.97 6.47 -12.57 2 4 0 59 301.415 3 ↓
Lo Low (pH 4.5-6) 2.97 6.9 -35.38 3 4 1 60 302.423 3 ↓

Analogs

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Popular Name: 1-[5-(3-isopropoxyphenyl)thiazol-2-yl]piperidine-4-carboxamide 1-[5-(3-isopropoxyphenyl)thiazol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUCI-1-E Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUCI_LUCLA Q01158 Luciferase, Lucla 800 0.36 Binding ≤ 1μM
LUCI_LUCLA Q01158 Luciferase, Lucla 800 0.36 Binding ≤ 10μM

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) 3.29 6.64 -13.58 2 5 0 68 345.468 5 ↓
Lo Low (pH 4.5-6) 3.29 7.07 -36.94 3 5 1 70 346.476 5 ↓

Analogs

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Popular Name: 1-[5-(4-chlorophenyl)thiazol-2-yl]piperidine-4-carboxamide 1-[5-(4-chlorophenyl)thiazol-2-y…

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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) 3.20 6.32 -11.93 2 4 0 59 321.833 3 ↓
Lo Low (pH 4.5-6) 3.20 6.75 -38.54 3 4 1 60 322.841 3 ↓

Analogs

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Popular Name: 1-[5-(3-fluorophenyl)thiazol-2-yl]piperidine-4-carboxamide 1-[5-(3-fluorophenyl)thiazol-2-y…

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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) 2.66 5.87 -13.31 2 4 0 59 305.378 3 ↓
Lo Low (pH 4.5-6) 2.66 6.29 -37.9 3 4 1 60 306.386 3 ↓

Analogs

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Popular Name: 1-[5-(4-methylsulfanylphenyl)thiazol-2-yl]piperidine-4-carboxamide 1-[5-(4-methylsulfanylphenyl)thi…

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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) 2.95 6.82 -13.14 2 4 0 59 333.482 4 ↓
Lo Low (pH 4.5-6) 2.95 7.25 -38.03 3 4 1 60 334.49 4 ↓

Analogs

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Popular Name: 1-[1-[5-[3-(dimethylamino)phenyl]thiazol-2-yl]-4-piperidyl]ethanone 1-[1-[5-[3-(dimethylamino)phenyl…

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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) 3.41 10 -12.01 0 4 0 36 329.469 4 ↓
Lo Low (pH 4.5-6) 3.41 10.44 -34.01 1 4 1 38 330.477 4 ↓

Parameters Provided:

ring.id = 476387
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 = 476387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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