UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14246111
14246111

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Popular Name: N-(4-chlorophenyl)-2-[(4R)-3-oxo-2,4-dihydro-[1,2,4]triazino[4,3-c]quinazolin-4-yl]acetamide N-(4-chlorophenyl)-2-[(4R)-3-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) 2.44 7.44 -18.72 2 7 0 88 367.796 3 ↓

Analogs

14246110
14246110

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Popular Name: N-(4-chlorophenyl)-2-[(4S)-3-oxo-2,4-dihydro-[1,2,4]triazino[4,3-c]quinazolin-4-yl]acetamide N-(4-chlorophenyl)-2-[(4S)-3-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) 2.44 7.5 -18.72 2 7 0 88 367.796 3 ↓

Analogs

14246113
14246113

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Popular Name: N-(2-fluorophenyl)-2-[(4R)-3-oxo-2,4-dihydro-[1,2,4]triazino[4,3-c]quinazolin-4-yl]acetamide N-(2-fluorophenyl)-2-[(4R)-3-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) 1.88 7.04 -17.21 2 7 0 88 351.341 3 ↓

Analogs

14246112
14246112

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Popular Name: N-(2-fluorophenyl)-2-[(4S)-3-oxo-2,4-dihydro-[1,2,4]triazino[4,3-c]quinazolin-4-yl]acetamide N-(2-fluorophenyl)-2-[(4S)-3-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) 1.88 7.01 -17.17 2 7 0 88 351.341 3 ↓

Parameters Provided:

ring.id = 238980
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 = 238980 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=238980&filter.purchasability=annotated

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