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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42132291
42132291
42132292
42132292

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isoxazol-3-yl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]methanamine 1-isoxazol-3-yl-N-[[(2S)-tetrahy…

Find On: PubMed — Wikipedia — Google

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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) 0.59 2.55 -41.85 2 4 1 52 183.231 4 ↓
Hi High (pH 8-9.5) 0.59 1.1 -9.72 1 4 0 47 182.223 4 ↓

Analogs

42132291
42132291
42132292
42132292

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isoxazol-3-yl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]methanamine 1-isoxazol-3-yl-N-[[(2R)-tetrahy…

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) 0.59 2.55 -40.53 2 4 1 52 183.231 4 ↓
Hi High (pH 8-9.5) 0.59 1.19 -7.85 1 4 0 47 182.223 4 ↓

Analogs

44693167
44693167
44693169
44693169
44693170
44693170
44693172
44693172
44724794
44724794

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(5-methylisoxazol-3-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]methanamine N-methyl-1-(5-methylisoxazol-3-y…

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) 1.06 5.34 -35.45 1 4 1 40 211.285 4 ↓

Analogs

44693167
44693167
44693169
44693169
44693170
44693170
44693172
44693172
44724794
44724794

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(5-methylisoxazol-3-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]methanamine N-methyl-1-(5-methylisoxazol-3-y…

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) 1.06 5.2 -38.76 1 4 1 40 211.285 4 ↓

Parameters Provided:

ring.id = 566453
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 = 566453 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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