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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(3aR,4R,6aS)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[4,3-d]imidazol-4-yl]-N-(3-chloro-2-methyl 5-[(3aR,4R,6aS)-2,5,5-trioxo-1,3…

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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) 2.22 2.39 -32.97 3 7 0 104 399.9 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3aR,4S,6aS)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[4,3-d]imidazol-4-yl]-N-(3-chloro-2-methyl 5-[(3aR,4S,6aS)-2,5,5-trioxo-1,3…

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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) 2.22 2.03 -24.97 3 7 0 104 399.9 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3aS,4R,6aS)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[4,3-d]imidazol-4-yl]-N-(3-chloro-2-methyl 5-[(3aS,4R,6aS)-2,5,5-trioxo-1,3…

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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) 2.22 1.31 -24.47 3 7 0 104 399.9 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3aS,4S,6aS)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[4,3-d]imidazol-4-yl]-N-(3-chloro-2-methyl 5-[(3aS,4S,6aS)-2,5,5-trioxo-1,3…

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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) 2.22 1.43 -24.56 3 7 0 104 399.9 6 ↓

Analogs

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Popular Name: 6-(2-chlorophenyl)-8-(4-ethoxyphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octan-7-one 6-(2-chlorophenyl)-8-(4-ethoxyph…

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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) 3.79 -3.16 -19.68 0 6 0 66 406.891 4 ↓

Analogs

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Popular Name: 6-(2-chlorophenyl)-8-(4-ethoxyphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octan-7-one 6-(2-chlorophenyl)-8-(4-ethoxyph…

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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) 3.79 -3.59 -20.08 0 6 0 66 406.891 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-chlorophenyl)-8-(4-ethoxyphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octan-7-one 6-(2-chlorophenyl)-8-(4-ethoxyph…

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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) 3.79 -3.61 -18.26 0 6 0 66 406.891 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-chlorophenyl)-8-(4-ethoxyphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octan-7-one 6-(2-chlorophenyl)-8-(4-ethoxyph…

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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) 3.79 -3.24 -25.84 0 6 0 66 406.891 4 ↓

Analogs

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Popular Name: 6-(3-chlorophenyl)-8-(2,3-dimethylphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octan-7-one 6-(3-chlorophenyl)-8-(2,3-dimeth…

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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) 4.18 -2.58 -28.42 0 5 0 57 390.892 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-chlorophenyl)-8-(2,3-dimethylphenyl)-3,3-dioxo-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octan-7-one 6-(3-chlorophenyl)-8-(2,3-dimeth…

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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) 4.18 -2.86 -15.52 0 5 0 57 390.892 2 ↓

Analogs

12928148
12928148
12928153
12928153
12928158
12928158

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6aS)-5,5-dioxo-4-[5-oxo-5-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]pentyl]-1,3,3a,4,6,6a- (3aS,4R,6aS)-5,5-dioxo-4-[5-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) 0.95 2.14 -29.83 3 10 0 133 475.571 6 ↓

Analogs

12928148
12928148
12928153
12928153
12928158
12928158

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6aS)-5,5-dioxo-4-[5-oxo-5-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]pentyl]-1,3,3a,4,6,6a- (3aS,4S,6aS)-5,5-dioxo-4-[5-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) 0.95 2.18 -28.73 3 10 0 133 475.571 6 ↓

Parameters Provided:

ring.id = 145616
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 = 145616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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