UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13012198
13012198
34947928
34947928
34947931
34947931
34947968
34947968
34947970
34947970

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Popular Name: (1R)-N-[2-(1H-indol-3-yl)ethyl]cyclohex-3-ene-1-carboxamide (1R)-N-[2-(1H-indol-3-yl)ethyl]c…

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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) 3.17 7.6 -11.18 2 3 0 45 268.36 4 ↓

Analogs

34947928
34947928
34947931
34947931
34947933
34947933
34947935
34947935
34947963
34947963

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Popular Name: (1S)-N-[2-(1H-indol-3-yl)ethyl]cyclohex-3-ene-1-carboxamide (1S)-N-[2-(1H-indol-3-yl)ethyl]c…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.17 7.61 -11.26 2 3 0 45 268.36 4 ↓

Parameters Provided:

ring.id = 112269
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 = 112269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=112269&filter.purchasability=annotated

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