UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13013205
13013205
3989170
3989170

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Popular Name: 6-methyl-N-[[(1R)-tetralin-1-yl]methyl]pyridine-3-carboxamide 6-methyl-N-[[(1R)-tetralin-1-yl]…

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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) 2.32 7.82 -9.17 1 3 0 42 280.371 3 ↓

Analogs

30897048
30897048
3989170
3989170
13013204
13013204

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Popular Name: 6-methyl-N-[[(1S)-tetralin-1-yl]methyl]pyridine-3-carboxamide 6-methyl-N-[[(1S)-tetralin-1-yl]…

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) 2.32 7.82 -9.19 1 3 0 42 280.371 3 ↓

Analogs

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Popular Name: N-[[(1S)-1-hydroxytetralin-1-yl]methyl]-6-methyl-pyridine-3-carboxamide N-[[(1S)-1-hydroxytetralin-1-yl]…

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) 1.75 4.65 -8.89 2 4 0 62 296.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-hydroxytetralin-1-yl]methyl]-6-methyl-pyridine-3-carboxamide N-[[(1R)-1-hydroxytetralin-1-yl]…

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) 1.75 4.65 -8.88 2 4 0 62 296.37 3 ↓

Parameters Provided:

ring.id = 113092
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 = 113092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113092&filter.purchasability=annotated

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