UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402378
12402378
1429671
1429671
1429672
1429672

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Popular Name: 2-[(4S)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-t 2-[(4S)-7,7-dimethyl-4-(4-methyl…

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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) 5.77 3.12 -12.72 0 4 0 61 490.694 3 ↓

Analogs

12402377
12402377
1429671
1429671

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Popular Name: 2-[(4R)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-t 2-[(4R)-7,7-dimethyl-4-(4-methyl…

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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) 5.77 3.12 -12.92 0 4 0 61 490.694 3 ↓

Analogs

12402382
12402382
1429679
1429679
1429680
1429680

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Popular Name: 2-[(4S)-4-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydr 2-[(4S)-4-(3-chlorophenyl)-7,7-d…

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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) 5.99 3.24 -11.98 0 4 0 61 479.045 2 ↓

Analogs

12402381
12402381
1429679
1429679

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydr 2-[(4R)-4-(3-chlorophenyl)-7,7-d…

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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) 5.99 3.2 -11.41 0 4 0 61 479.045 2 ↓

Analogs

12402384
12402384
12428398
12428398
12428399
12428399
12428488
12428488
12428489
12428489

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Popular Name: 2-[(4R)-4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetra 2-[(4R)-4-(2,3-dichlorophenyl)-7…

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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) 6.12 3.21 -12.79 0 4 0 61 513.49 2 ↓

Analogs

12428398
12428398
12428399
12428399
12428488
12428488
12428489
12428489
12402375
12402375

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(2,3-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetra 2-[(4S)-4-(2,3-dichlorophenyl)-7…

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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) 6.12 3.22 -13.31 0 4 0 61 513.49 2 ↓

Parameters Provided:

ring.id = 101115
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 = 101115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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