UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(8-quinolyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(8-quinolyl)-4-(1,1,3-trioxo-1…

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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) 1.72 -4.78 -23.7 1 7 0 96 381.413 3 ↓

Analogs

12021412
12021412
12022567
12022567

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Popular Name: 4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(8-quinolyl)benzamide 4-[(4S)-4-methyl-1,1,3-trioxo-1,…

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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) 2.19 -4.5 -22.05 1 7 0 96 395.44 3 ↓

Analogs

12022567
12022567
12021408
12021408

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Popular Name: 4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(8-quinolyl)benzamide 4-[(4R)-4-methyl-1,1,3-trioxo-1,…

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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) 2.19 -4.51 -22.27 1 7 0 96 395.44 3 ↓

Analogs

12021408
12021408
12021412
12021412

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Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(8-quinolyl)benzamide 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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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) 2.60 -4.09 -21.02 1 7 0 96 409.467 3 ↓

Analogs

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Popular Name: 2-chloro-N-(8-quinolyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(8-quinolyl)-4-(1,1,3…

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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) 2.32 -4.92 -24.05 1 7 0 96 415.858 3 ↓

Analogs

12024715
12024715

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Popular Name: 2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(8-quinolyl)benzamide 2-chloro-4-[(4S)-4-methyl-1,1,3-…

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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) 2.80 -4.64 -22.41 1 7 0 96 429.885 3 ↓

Analogs

12024710
12024710

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Popular Name: 2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(8-quinolyl)benzamide 2-chloro-4-[(4R)-4-methyl-1,1,3-…

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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) 2.80 -4.43 -22.49 1 7 0 96 429.885 3 ↓

Parameters Provided:

ring.id = 68764
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 = 68764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68764&filter.purchasability=annotated

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