UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37000917
37000917
37000919
37000919
37000921
37000921
37000924
37000924

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Popular Name: N-(2-methylcyclohexyl)-2-[2-oxo-3-(p-tolylmethyl)imidazolidin-1-yl]-acetamide N-(2-methylcyclohexyl)-2-[2-oxo-…

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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) 3.70 -0.04 -17.18 1 5 0 52 343.471 5 ↓

Analogs

4930682
4930682
4930690
4930690
4930697
4930697
4930702
4930702

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Popular Name: N-(2-methylcyclohexyl)-2-[2-oxo-3-(p-tolylmethyl)imidazolidin-1-yl]-acetamide N-(2-methylcyclohexyl)-2-[2-oxo-…

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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) 3.70 -0.58 -17.61 1 5 0 52 343.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylcyclohexyl)-2-[2-oxo-3-(p-tolylmethyl)imidazolidin-1-yl]-acetamide N-(2-methylcyclohexyl)-2-[2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.70 10.12 -19.44 1 5 0 53 343.471 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylcyclohexyl)-2-[2-oxo-3-(p-tolylmethyl)imidazolidin-1-yl]-acetamide N-(2-methylcyclohexyl)-2-[2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.70 -0.04 -16.94 1 5 0 52 343.471 5 ↓

Analogs

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Popular Name: 2-[3-[(3-chlorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(4-methylcyclohexyl)-acetamide 2-[3-[(3-chlorophenyl)methyl]-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) 3.44 10.13 -20.1 1 5 0 53 363.889 5 ↓

Analogs

4034657
4034657

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Popular Name: 2-[3-[(4-chlorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(2-methylcyclohexyl)-acetamide 2-[3-[(4-chlorophenyl)methyl]-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) 3.93 -0.51 -16.29 1 5 0 52 363.889 5 ↓

Analogs

4034657
4034657

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4-chlorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(2-methylcyclohexyl)-acetamide 2-[3-[(4-chlorophenyl)methyl]-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) 3.93 -1.05 -17 1 5 0 52 363.889 5 ↓

Analogs

4034657
4034657

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4-chlorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(2-methylcyclohexyl)-acetamide 2-[3-[(4-chlorophenyl)methyl]-2-…

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) 3.93 -1.06 -17.05 1 5 0 52 363.889 5 ↓

Analogs

4034657
4034657

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(4-chlorophenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(2-methylcyclohexyl)-acetamide 2-[3-[(4-chlorophenyl)methyl]-2-…

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) 3.93 -0.51 -16.6 1 5 0 52 363.889 5 ↓

Analogs

21778156
21778156
4931569
4931569
4931571
4931571

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Popular Name: 2-[3-[(2-chloro-4-fluoro-phenyl)methyl]-2-oxo-imidazolidin-1-yl]-N-(4-methylcyclohexyl)-acetamide 2-[3-[(2-chloro-4-fluoro-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) 3.55 9.84 -15.24 1 5 0 53 381.879 5 ↓

Parameters Provided:

ring.id = 3749
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 = 3749 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3749&filter.purchasability=annotated

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