UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19863854
19863854

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Popular Name: 2-[[(2S)-oxiran-2-yl]methylsulfanyl]-5-(trifluoromethyl)pyridine 2-[[(2S)-oxiran-2-yl]methylsulfa…

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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) 2.37 4.15 -6.36 0 2 0 25 235.23 4 ↓

Analogs

19863851
19863851

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Popular Name: 2-[[(2R)-oxiran-2-yl]methylsulfanyl]-5-(trifluoromethyl)pyridine 2-[[(2R)-oxiran-2-yl]methylsulfa…

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) 2.37 4.11 -6.35 0 2 0 25 235.23 4 ↓

Analogs

19863869
19863869
70615034
70615034
70615035
70615035
70615036
70615036
70615037
70615037

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Popular Name: 2-[[(2S)-oxiran-2-yl]methylsulfanyl]pyridine 2-[[(2S)-oxiran-2-yl]methylsulfa…

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) 1.47 3.16 -7.59 0 2 0 25 167.233 3 ↓

Analogs

70615034
70615034
70615035
70615035
70615036
70615036
70615037
70615037
19863866
19863866

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Popular Name: 2-[[(2R)-oxiran-2-yl]methylsulfanyl]pyridine 2-[[(2R)-oxiran-2-yl]methylsulfa…

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) 1.47 3.17 -7.69 0 2 0 25 167.233 3 ↓

Parameters Provided:

ring.id = 52550
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 = 52550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=52550&filter.purchasability=annotated

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