UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14375813
14375813
40949157
40949157
4256855
4256855

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]cyclohexanecarboxamide N-[4-(4-methoxyphenyl)thiazol-2-…

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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) 4.19 8.14 -11.19 1 4 0 51 316.426 4 ↓

Analogs

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Popular Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]cyclohexanecarboxamide N-[4-(2,5-dimethylphenyl)thiazol…

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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 10.35 -9.68 1 3 0 42 314.454 3 ↓

Analogs

4256855
4256855
6779065
6779065
40949158
40949158

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Popular Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]cyclohexanecarboxamide N-[4-(4-butoxyphenyl)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) 5.63 -0.43 -9.24 1 4 0 51 358.507 7 ↓

Analogs

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Popular Name: N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]cyclohexanecarboxamide N-[4-(3-chlorophenyl)-5-methyl-t…

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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) 5.01 9.96 -8.08 1 3 0 42 334.872 3 ↓

Analogs

4169395
4169395
4188877
4188877
4215101
4215101
6125802
6125802
6668879
6668879

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Popular Name: N-(3-diethylaminopropyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-cyclohexanecarboxamide N-(3-diethylaminopropyl)-N-[4-(4…

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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) 5.49 1.37 -35.63 1 5 1 46 430.638 10 ↓

Parameters Provided:

ring.id = 34687
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 = 34687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=34687&filter.purchasability=annotated

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