UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclohexyl-2-ethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]hexanamide N-cyclohexyl-2-ethyl-N-[(4-methy…

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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) 5.21 0.05 -12.44 1 5 0 62 379.57 9 ↓

Analogs

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Popular Name: N-cyclohexyl-2-ethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]hexanamide N-cyclohexyl-2-ethyl-N-[(4-methy…

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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) 5.21 -0.04 -12.15 1 5 0 62 379.57 9 ↓

Analogs

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Popular Name: 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-methylthiazol-2-yl)acetamide 2-[methyl-(4-methylcyclohexyl)am…

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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) 2.47 7.4 -42.55 2 4 1 46 282.433 4 ↓
Mid Mid (pH 6-8) 2.28 6.8 -32.65 1 4 0 53 281.425 4 ↓

Analogs

4913959
4913959
16740507
16740507

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Popular Name: 2-[cyclohexyl(ethyl)amino]-N-(4,5-dimethylthiazol-2-yl)acetamide 2-[cyclohexyl(ethyl)amino]-N-(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) 3.29 8.21 -40.11 2 4 1 46 296.46 5 ↓
Mid Mid (pH 6-8) 3.11 7.47 -34.33 1 4 0 53 295.452 5 ↓

Analogs

42163147
42163147
42163149
42163149
36754332
36754332
15467165
15467165

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Popular Name: 2-[cyclohexyl(ethyl)amino]-N-(4-methylthiazol-2-yl)acetamide 2-[cyclohexyl(ethyl)amino]-N-(4-…

Find On: PubMed — Wikipedia — Google

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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) 3.07 7.15 -39.68 2 4 1 46 282.433 5 ↓
Mid Mid (pH 6-8) 2.89 6.44 -31.14 1 4 0 53 281.425 5 ↓

Parameters Provided:

ring.id = 3198
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 = 3198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3198&filter.purchasability=annotated

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