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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017659
35017659

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Popular Name: N-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-(3-fluorophenyl)ethanamine N-[[(1R,4R,5R)-5-bicyclo[2.2.1]h…

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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) 3.59 9.61 -45.13 2 1 1 17 246.349 5 ↓

Analogs

35017657
35017657

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Popular Name: N-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methyl]-2-(3-fluorophenyl)ethanamine N-[[(1R,4R,5S)-5-bicyclo[2.2.1]h…

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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) 3.59 9.63 -47.59 2 1 1 17 246.349 5 ↓

Analogs

37199379
37199379
37199380
37199380
10475158
10475158

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Popular Name: 4-[2-[[(1R,4R,5R)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]ethyl]benzenesulfonamide 4-[2-[[(1R,4R,5R)-5-bicyclo[2.2.…

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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) 2.14 4.51 -54.3 4 4 1 77 307.439 6 ↓

Analogs

37199379
37199379
37199380
37199380
10475158
10475158

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]methylamino]ethyl]benzenesulfonamide 4-[2-[[(1R,4R,5S)-5-bicyclo[2.2.…

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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) 2.14 4.53 -56.92 4 4 1 77 307.439 6 ↓

Parameters Provided:

ring.id = 15073
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 = 15073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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