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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: (3S)-N-cyclohexyl-N-ethyl-1,1-dioxo-thiolane-3-carboxamide (3S)-N-cyclohexyl-N-ethyl-1,1-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) 1.85 4.27 -15.33 0 4 0 54 273.398 3 ↓

Analogs

37861487
37861487
37861488
37861488
37861489
37861489
37861490
37861490

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Popular Name: (3R)-N-cyclohexyl-N-ethyl-1,1-dioxo-thiolane-3-carboxamide (3R)-N-cyclohexyl-N-ethyl-1,1-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) 1.85 4.31 -16.63 0 4 0 54 273.398 3 ↓

Analogs

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Popular Name: (3S)-N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxo-thiolane-3-carboxamide (3S)-N-cyclohexyl-N-(2-hydroxyet…

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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) 0.84 2.15 -17.57 1 5 0 75 289.397 4 ↓

Analogs

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Popular Name: (3R)-N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxo-thiolane-3-carboxamide (3R)-N-cyclohexyl-N-(2-hydroxyet…

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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) 0.84 2.1 -19.1 1 5 0 75 289.397 4 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-(4-methylcyclohexyl)-1,1-dioxo-thiolane-3-carboxamide (3S)-N-methyl-N-(4-methylcyclohe…

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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) 1.24 4.08 -16.62 0 4 0 54 273.398 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-(4-methylcyclohexyl)-1,1-dioxo-thiolane-3-carboxamide (3R)-N-methyl-N-(4-methylcyclohe…

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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) 1.24 4.05 -18.78 0 4 0 54 273.398 2 ↓

Analogs

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Popular Name: (3S)-N-[(1R,2R,5R)-2-isopropyl-5-methyl-cyclohexyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1R,2R,5R)-2-isopropyl-5…

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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) 2.98 4.89 -16.56 1 4 0 63 301.452 3 ↓

Analogs

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Popular Name: (3S)-N-[(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1R,2R,5S)-2-isopropyl-5…

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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) 2.98 4.85 -16.61 1 4 0 63 301.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1R,2S,5R)-2-isopropyl-5…

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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) 2.98 4.37 -16.93 1 4 0 63 301.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl]-1,1-dioxo-thiolane-3-carboxamide (3S)-N-[(1R,2S,5S)-2-isopropyl-5…

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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) 2.98 4.14 -16.83 1 4 0 63 301.452 3 ↓

Parameters Provided:

ring.id = 189573
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 = 189573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=189573&filter.purchasability=annotated

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