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

Analogs

37812597
37812597
37812598
37812598
37817646
37817646
37817647
37817647
37824827
37824827

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-cyclopentyl-N-methyl-1,2,…

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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) 2.23 6.19 -8.03 1 3 0 32 258.365 2 ↓
Lo Low (pH 4.5-6) 2.23 7.43 -38.69 2 3 1 37 259.373 2 ↓

Analogs

37812597
37812597
37812598
37812598
37817646
37817646
37817647
37817647
37824827
37824827

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3R)-N-cyclopentyl-N-methyl-1,2,…

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) 2.23 6.23 -7.57 1 3 0 32 258.365 2 ↓
Lo Low (pH 4.5-6) 2.23 7.42 -38.32 2 3 1 37 259.373 2 ↓

Analogs

37092811
37092811
35766329
35766329
35766331
35766331
37092812
37092812

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-allyl-N-cyclopentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3S)-N-allyl-N-cyclopentyl-1,2,3…

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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) 2.87 7.52 -7.08 1 3 0 32 284.403 4 ↓
Lo Low (pH 4.5-6) 2.87 8.77 -37.9 2 3 1 37 285.411 4 ↓

Analogs

37092811
37092811
35766329
35766329
35766331
35766331
37092812
37092812

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-allyl-N-cyclopentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3R)-N-allyl-N-cyclopentyl-1,2,3…

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) 2.87 7.49 -6.51 1 3 0 32 284.403 4 ↓
Lo Low (pH 4.5-6) 2.87 8.79 -38.39 2 3 1 37 285.411 4 ↓

Analogs

37092812
37092812
37092811
37092811
35766331
35766331

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopentyl-N-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (3R)-N-cyclopentyl-N-(2-hydroxye…

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) 1.60 3.94 -9.82 2 4 0 53 288.391 4 ↓
Lo Low (pH 4.5-6) 1.60 6.11 -37.92 3 4 1 57 289.399 4 ↓

Parameters Provided:

ring.id = 144687
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 = 144687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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