UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36234518
36234518

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Popular Name: (5-bromo-2-methoxy-phenyl)methyl (5-bromo-2-methoxy-phenyl)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) 4.07 10.21 -15.28 0 6 0 70 449.326 5 ↓

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl [4-(difluoromethoxy)-3-methoxy-p…

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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) 3.48 9.75 -18.62 0 7 0 80 436.436 7 ↓

Analogs

14246021
14246021
21750882
21750882

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Popular Name: [(1S)-2-diethylamino-2-oxo-1-phenyl-ethyl] [(1S)-2-diethylamino-2-oxo-1-phe…

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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) 3.36 12.53 -21.63 0 7 0 82 439.537 7 ↓

Analogs

21750882
21750882
14246020
14246020

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Popular Name: [(1R)-2-diethylamino-2-oxo-1-phenyl-ethyl] [(1R)-2-diethylamino-2-oxo-1-phe…

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Activity (Go SEA)

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) 3.36 12.8 -19.98 0 7 0 82 439.537 7 ↓

Parameters Provided:

ring.id = 45465
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 = 45465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=45465&filter.purchasability=annotated

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