UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-2-morpholino-aniline N-[(1R)-1-(3-methyl-2-thienyl)et…

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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) 3.93 8.31 -3.84 1 3 0 24 302.443 4 ↓
Lo Low (pH 4.5-6) 3.93 8.45 -28.56 2 3 1 26 303.451 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-2-morpholino-aniline N-[(1S)-1-(3-methyl-2-thienyl)et…

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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) 3.93 8.3 -3.84 1 3 0 24 302.443 4 ↓
Lo Low (pH 4.5-6) 3.93 8.36 -28.45 2 3 1 26 303.451 4 ↓

Analogs

38002817
38002817
38002818
38002818

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Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-2-morpholino-aniline N-[(1S)-1-(3-bromo-2-thienyl)eth…

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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) 4.29 8.28 -3.49 1 3 0 24 367.312 4 ↓

Analogs

38002817
38002817
38002818
38002818

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-2-morpholino-aniline N-[(1R)-1-(3-bromo-2-thienyl)eth…

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) 4.29 8.29 -3.54 1 3 0 24 367.312 4 ↓

Parameters Provided:

ring.id = 520419
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 = 520419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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