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

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Popular Name: N-[(1S)-1-[(3-methoxyphenyl)carbamoyl]-7-oxo-octyl]thiazole-5-carboxamide N-[(1S)-1-[(3-methoxyphenyl)carb…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HDAC1-1-E Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 33 0.37 Binding ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 880 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HDAC1_HUMAN Q13547 Histone Deacetylase 1, Human 33 0.37 Binding ≤ 1μM
HDAC1_HUMAN Q13547 Histone Deacetylase 1, Human 33 0.37 Binding ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 880 0.30 Functional ≤ 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) 2.73 7.21 -25.91 2 7 0 97 403.504 11 ↓

Analogs

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Popular Name: N-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-isopropyl-2,4-dimethyl-thiazole-5-carboxamide N-[2-(4-fluoroanilino)-2-oxo-eth…

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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) 2.49 6.67 -18.08 1 5 0 62 349.431 5 ↓

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-2-ethyl-thiazole-5-carboxamide N-(2-anilino-2-oxo-ethyl)-2-ethy…

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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) 1.76 3.7 -11.07 2 5 0 71 289.36 5 ↓

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-2,4-dimethyl-thiazole-5-carboxamide N-(2-anilino-2-oxo-ethyl)-2,4-di…

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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) 1.41 3.54 -11.3 2 5 0 71 289.36 4 ↓

Analogs

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Popular Name: N-[2-(4-chloroanilino)-2-oxo-ethyl]-4-methyl-thiazole-5-carboxamide N-[2-(4-chloroanilino)-2-oxo-eth…

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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) 2.37 3.33 -11.31 2 5 0 71 309.778 4 ↓

Analogs

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Popular Name: N-[2-(4-bromoanilino)-2-oxo-ethyl]-4-chloro-thiazole-5-carboxamide N-[2-(4-bromoanilino)-2-oxo-ethy…

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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) 3.08 3.25 -13.22 2 5 0 71 374.647 4 ↓

Parameters Provided:

ring.id = 93550
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 = 93550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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