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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-tetralin-1-amine (1R)-1-(aminomethyl)-N-(cyclobut…

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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) 2.62 5.98 -42.91 3 2 1 31 259.417 4 ↓
Lo Low (pH 4.5-6) 2.62 7.88 -116.27 4 2 2 32 260.425 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-tetralin-1-amine (1S)-1-(aminomethyl)-N-(cyclobut…

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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) 2.62 6.17 -44.75 3 2 1 31 259.417 4 ↓
Lo Low (pH 4.5-6) 2.62 8.04 -124.01 4 2 2 32 260.425 4 ↓

Analogs

44515189
44515189
44515191
44515191

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-4,4-dimethyl-tetralin-1-amine (1S)-N-(cyclobutylmethyl)-4,4-di…

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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) 3.33 9.78 -38.52 2 1 1 17 244.402 3 ↓

Analogs

44515189
44515189
44515191
44515191

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-4,4-dimethyl-tetralin-1-amine (1R)-N-(cyclobutylmethyl)-4,4-di…

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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) 3.33 9.79 -38.69 2 1 1 17 244.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)tetralin-1-amine (1S)-N-(cyclobutylmethyl)tetrali…

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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) 2.60 8.95 -37.96 2 1 1 17 216.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)tetralin-1-amine (1R)-N-(cyclobutylmethyl)tetrali…

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) 2.60 8.95 -37.96 2 1 1 17 216.348 3 ↓

Analogs

45628660
45628660
45628661
45628661
45628662
45628662
45628663
45628663
45629371
45629371

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-6-methoxy-tetralin-1-amine (1S)-N-(cyclobutylmethyl)-6-meth…

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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) 2.64 8.25 -41.32 2 2 1 26 246.374 4 ↓

Analogs

44512154
44512154
44512156
44512156
45628660
45628660
45628661
45628661
45628662
45628662

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-6-methoxy-tetralin-1-amine (1R)-N-(cyclobutylmethyl)-6-meth…

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) 2.64 8.25 -41.31 2 2 1 26 246.374 4 ↓

Parameters Provided:

ring.id = 217286
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 = 217286 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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