UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-N-[(3,4-difluorophenyl)methyl]-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-[(3,4-difluorophenyl)meth…

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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) 2.35 8.18 -12.13 1 4 0 51 352.388 4 ↓

Analogs

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Popular Name: (5R)-N-[(3,4-difluorophenyl)methyl]-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-[(3,4-difluorophenyl)meth…

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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) 2.35 8.46 -12.09 1 4 0 51 352.388 4 ↓

Parameters Provided:

ring.id = 426167
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = e57f8535-459d-41da-b2a2-a8ff3aecf8f9

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 = 426167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=426167&filter.purchasability=annotated

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