UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BRD-K00267266-001-02-5 BRD-K00267266-001-02-5

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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) 3.54 4.05 -21.7 2 10 0 133 611.739 9 ↓
Mid Mid (pH 6-8) 3.54 4.06 -48.8 1 10 -1 135 610.731 9 ↓

Analogs

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Popular Name: BRD-K86770174-001-02-6 BRD-K86770174-001-02-6

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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) 3.38 3.96 -22.33 2 10 0 133 593.749 9 ↓
Hi High (pH 8-9.5) 3.38 3.99 -54.73 1 10 -1 135 592.741 9 ↓

Analogs

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Popular Name: BRD-K12468785-001-02-7 BRD-K12468785-001-02-7

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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) 3.44 3.27 -23.21 2 11 0 143 623.775 10 ↓
Hi High (pH 8-9.5) 3.44 3.29 -53.19 1 11 -1 145 622.767 10 ↓

Parameters Provided:

ring.id = 471944
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 = 471944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=471944&filter.purchasability=annotated

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