UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36541085
36541085

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Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-(2-chlorophenyl)-3-methyl-butanamide N-[(1S)-2-(tert-butylamino)-2-ox…

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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) 7.14 17.49 -13.79 1 4 0 49 501.07 7 ↓

Analogs

36541084
36541084

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Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-(2-chlorophenyl)-3-methyl-butanamide N-[(1R)-2-(tert-butylamino)-2-ox…

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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) 7.14 15.77 -11.49 1 4 0 49 501.07 7 ↓

Analogs

36541089
36541089

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Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-(2-chlorophenyl)-3-methyl-butanamide N-[(1R)-2-(butylamino)-2-oxo-1-(…

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) 7.39 15.75 -15.05 1 4 0 49 501.07 9 ↓

Analogs

36541088
36541088

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Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-(2-chlorophenyl)-3-methyl-butanamide N-[(1S)-2-(butylamino)-2-oxo-1-(…

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) 7.39 16.45 -13.16 1 4 0 49 501.07 9 ↓

Parameters Provided:

ring.id = 98282
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 = 98282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=98282&filter.purchasability=annotated

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