UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14558526
14558526
14558529
14558529
14558532
14558532

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A46352604-001-01-6 BRD-A46352604-001-01-6

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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) 4.10 16.75 -57.02 0 7 -1 106 474.961 10 ↓

Analogs

14558529
14558529
14558532
14558532
14558523
14558523

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A46352604-001-01-6 BRD-A46352604-001-01-6

Find On: PubMed — Wikipedia — Google

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) 4.10 16.75 -57.05 0 7 -1 106 474.961 10 ↓

Analogs

14558532
14558532
14558523
14558523
14558526
14558526

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A46352604-001-01-6 BRD-A46352604-001-01-6

Find On: PubMed — Wikipedia — Google

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) 4.10 15.77 -55.78 0 7 -1 106 474.961 10 ↓

Analogs

14558523
14558523
14558526
14558526

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A46352604-001-01-6 BRD-A46352604-001-01-6

Find On: PubMed — Wikipedia — Google

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) 4.10 15.77 -55.88 0 7 -1 106 474.961 10 ↓

Parameters Provided:

ring.id = 247019
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 = 247019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=247019&filter.purchasability=annotated

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