UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzoimidazol-1-yl-(2-cyanoethyl)-methyl-BLAHcarbonitrile benzoimidazol-1-yl-(2-cyanoethyl…

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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) 4.08 4.77 -19.87 0 6 0 82 376.423 3 ↓

Analogs

4136213
4136213

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Popular Name: benzoimidazol-1-yl-methyl-pentyl-BLAHcarbonitrile benzoimidazol-1-yl-methyl-pentyl…

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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) 6.57 3.93 -13.19 0 5 0 58 393.494 5 ↓

Analogs

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Popular Name: 1-(benzimidazol-1-yl)-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile 1-(benzimidazol-1-yl)-2-ethyl-3-…

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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) 5.11 3.56 -13.47 0 5 0 58 351.413 2 ↓

Parameters Provided:

ring.id = 3678
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 = 3678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3678&filter.purchasability=annotated

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