UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BRD-K13794505-001-01-6 BRD-K13794505-001-01-6

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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) 2.89 12.17 -52.6 2 7 1 72 367.477 5 ↓
Hi High (pH 8-9.5) 2.89 9.96 -10.35 1 7 0 71 366.469 5 ↓

Analogs

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Popular Name: 4-nitro-1-methyl-N-{1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}-1H-pyrazole-5-carboxamide 4-nitro-1-methyl-N-{1-[2-(1-pipe…

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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) 2.40 12.82 -58.26 2 10 1 118 398.447 5 ↓
Hi High (pH 8-9.5) 2.40 10.6 -12.81 1 10 0 117 397.439 5 ↓

Parameters Provided:

ring.id = 71931
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 = 71931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71931&filter.purchasability=annotated

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