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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-chloro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[2-chloro-5-[4-(furan-2-carbon…

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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) 0.62 -4.1 -26.87 0 9 0 108 451.888 3 ↓

Analogs

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Popular Name: 2-[4-chloro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-chloro-3-[4-(furan-2-carbon…

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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) 0.62 -4.12 -23.92 0 9 0 108 451.888 3 ↓

Analogs

12205366
12205366
12205373
12205373

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Popular Name: 2-[4-chloro-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazoli 2-[4-chloro-3-[4-(furan-2-carbon…

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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) 1.51 -3.62 -23.11 0 9 0 108 479.942 3 ↓

Analogs

32536942
32536942
32536943
32536943

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Popular Name: 2-[2-chloro-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazoli 2-[2-chloro-5-[4-(furan-2-carbon…

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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) 1.51 -3.4 -24.77 0 9 0 108 479.942 3 ↓

Analogs

12004931
12004931
15858619
15858619

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Popular Name: (4S)-2-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-on (4S)-2-[3-[4-(furan-2-carbonyl)p…

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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) 0.47 -3.91 -26.86 0 9 0 108 431.47 3 ↓

Analogs

15858619
15858619
12004925
12004925

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Popular Name: (4R)-2-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-on (4R)-2-[3-[4-(furan-2-carbonyl)p…

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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) 0.47 -3.72 -26.65 0 9 0 108 431.47 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[3-[4-(furan-2-carbonyl)pipera…

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) -0.01 -4.19 -29.66 0 9 0 108 417.443 3 ↓

Parameters Provided:

ring.id = 71500
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 = 71500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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