UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42448223
42448223

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Popular Name: 1-(3-furyl)-N-methyl-N-[[(2R)-oxiran-2-yl]methyl]methanamine 1-(3-furyl)-N-methyl-N-[[(2R)-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) 0.52 3.51 -38.59 1 3 1 30 168.216 4 ↓

Analogs

42448221
42448221

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Popular Name: 1-(3-furyl)-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]methanamine 1-(3-furyl)-N-methyl-N-[[(2S)-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) 0.52 3.57 -37.84 1 3 1 30 168.216 4 ↓

Analogs

43802618
43802618
43802621
43802621
48913255
48913255

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Popular Name: N-methyl-1-(2-methyl-3-furyl)-N-[[(2R)-oxiran-2-yl]methyl]methanamine N-methyl-1-(2-methyl-3-furyl)-N-…

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) 0.74 4.38 -38.83 1 3 1 30 182.243 4 ↓

Analogs

43802618
43802618
43802621
43802621
48913255
48913255

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(2-methyl-3-furyl)-N-[[(2S)-oxiran-2-yl]methyl]methanamine N-methyl-1-(2-methyl-3-furyl)-N-…

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) 0.74 4.41 -38.61 1 3 1 30 182.243 4 ↓

Parameters Provided:

ring.id = 619106
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 = 619106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=619106&filter.purchasability=annotated

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