UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A14275336-001-01-2 BRD-A14275336-001-01-2

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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) 3.98 13.42 -11.16 0 4 0 43 314.392 1 ↓
Mid Mid (pH 6-8) 3.64 13.77 -7.88 1 4 0 43 314.392 1 ↓
Lo Low (pH 4.5-6) 3.98 13.94 -10.72 1 4 0 44 315.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A14275336-001-01-2 BRD-A14275336-001-01-2

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) 3.98 12.95 -12.06 0 4 0 43 314.392 1 ↓
Mid Mid (pH 6-8) 3.64 13.77 -7.41 1 4 0 43 314.392 1 ↓
Lo Low (pH 4.5-6) 3.98 13.47 -11.1 1 4 0 44 315.4 1 ↓

Parameters Provided:

ring.id = 590277
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 = 590277 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=590277&filter.purchasability=annotated

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