UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16578003
16578003

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Popular Name: (4R)-3-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-4,6,8,9-tetrahydrothieno[5,4-b]quinoline-2-carboni (4R)-3-amino-4-(4-bromophenyl)-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) 4.44 9.24 -13.3 3 4 0 79 428.355 1 ↓

Analogs

16578000
16578000

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Popular Name: (4S)-3-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-4,6,8,9-tetrahydrothieno[5,4-b]quinoline-2-carboni (4S)-3-amino-4-(4-bromophenyl)-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) 4.44 9.25 -13.48 3 4 0 79 428.355 1 ↓

Analogs

16578009
16578009

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Popular Name: (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one (4R)-3-amino-2-benzoyl-4-(4-fluo…

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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) 5.50 11.65 -17.12 3 4 0 72 446.547 3 ↓

Analogs

16578006
16578006

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Popular Name: (4S)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one (4S)-3-amino-2-benzoyl-4-(4-fluo…

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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) 5.50 11.64 -17.1 3 4 0 72 446.547 3 ↓

Parameters Provided:

ring.id = 256702
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 = 256702 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=256702&filter.purchasability=annotated

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