UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-2-[(3S)-tetrahydrofuran-3-yl]benzimidazole-5-carboxylic 1-methyl-2-[(3S)-tetrahydrofuran…

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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) 1.57 5.9 -60.16 0 5 -1 67 245.258 2 ↓
Mid Mid (pH 6-8) 1.57 6.49 -53.23 1 5 0 68 246.266 2 ↓

Analogs

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Popular Name: 1-methyl-2-[(3R)-tetrahydrofuran-3-yl]benzimidazole-5-carboxylic 1-methyl-2-[(3R)-tetrahydrofuran…

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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) 1.57 6.05 -58.27 0 5 -1 67 245.258 2 ↓
Mid Mid (pH 6-8) 1.57 6.54 -53.04 1 5 0 68 246.266 2 ↓

Parameters Provided:

ring.id = 159054
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 = 159054 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=159054&filter.purchasability=annotated

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