UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12026954
12026954

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Popular Name: 6-[(1S)-1-(2-chlorophenyl)1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]-2-methyl-4,5-dihydropyri 6-[(1S)-1-(2-chlorophenyl)1,3,4,…

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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) 3.57 -0.69 -10.15 1 6 0 69 420.9 2 ↓

Analogs

12026951
12026951

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Popular Name: 6-[(1R)-1-(2-chlorophenyl)1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]-2-methyl-4,5-dihydropyri 6-[(1R)-1-(2-chlorophenyl)1,3,4,…

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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) 3.57 10.07 -9.98 1 6 0 69 420.9 2 ↓

Parameters Provided:

ring.id = 77782
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 = 77782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77782&filter.purchasability=annotated

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