UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41861884
41861884

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Popular Name: (5S)-N-(cyclobutylmethyl)-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-N-(cyclobutylmethyl)-3-(3-f…

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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) 2.21 7.09 -14.13 1 4 0 51 276.311 4 ↓

Analogs

41861883
41861883

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Popular Name: (5R)-N-(cyclobutylmethyl)-3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-N-(cyclobutylmethyl)-3-(3-f…

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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) 2.21 7.08 -15.16 1 4 0 51 276.311 4 ↓

Analogs

41862007
41862007

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Popular Name: (5S)-N-(cyclobutylmethyl)-3-phenyl-4,5-dihydroisoxazole-5-carboxamide (5S)-N-(cyclobutylmethyl)-3-phen…

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) 2.07 7.02 -15.6 1 4 0 51 258.321 4 ↓

Analogs

41862006
41862006

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Popular Name: (5R)-N-(cyclobutylmethyl)-3-phenyl-4,5-dihydroisoxazole-5-carboxamide (5R)-N-(cyclobutylmethyl)-3-phen…

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) 2.07 7.01 -17.16 1 4 0 51 258.321 4 ↓

Parameters Provided:

ring.id = 585450
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 = 585450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=585450&filter.purchasability=annotated

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