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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-N-methyl-1-(2-naphthyl)ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-N-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) 2.96 7.58 -49.46 3 2 1 31 269.412 5 ↓
Lo Low (pH 4.5-6) 2.96 9.31 -125.33 4 2 2 32 270.42 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(2-naphthyl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-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) 2.96 7.22 -49.02 3 2 1 31 269.412 5 ↓
Lo Low (pH 4.5-6) 2.96 9.22 -125.41 4 2 2 32 270.42 5 ↓

Analogs

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Popular Name: 3-[[cyclobutylmethyl(methyl)amino]methyl]naphthalen-2-amine 3-[[cyclobutylmethyl(methyl)amin…

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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) 3.38 9.41 -39.41 3 2 1 30 255.385 4 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(6-methoxy-2-naphthyl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(6-m…

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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) 4.32 9.5 -43.25 2 2 1 26 270.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(6-methoxy-2-naphthyl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(6-m…

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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) 4.32 9.51 -43.21 2 2 1 26 270.396 5 ↓

Analogs

44511657
44511657
44511659
44511659
44515635
44515635
44515637
44515637

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-1-(2-naphthyl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(2-n…

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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) 4.28 10.2 -40.5 2 1 1 17 240.37 4 ↓

Analogs

44511657
44511657
44511659
44511659
44515635
44515635
44515637
44515637

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(2-naphthyl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(2-n…

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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) 4.28 10.2 -40.49 2 1 1 17 240.37 4 ↓

Analogs

45628742
45628742
45628743
45628743
45628744
45628744
45628745
45628745

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(cyclobutylmethylamino)ethyl]naphthalen-1-ol 2-[(1S)-1-(cyclobutylmethylamino…

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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) 3.99 7.64 -40.98 3 2 1 37 256.369 4 ↓
Hi High (pH 8-9.5) 3.99 8.35 -39.65 2 2 0 40 255.361 4 ↓

Analogs

45628742
45628742
45628743
45628743
45628744
45628744
45628745
45628745

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(cyclobutylmethylamino)ethyl]naphthalen-1-ol 2-[(1R)-1-(cyclobutylmethylamino…

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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) 3.99 7.55 -41.92 3 2 1 37 256.369 4 ↓
Hi High (pH 8-9.5) 3.99 8.32 -39.14 2 2 0 40 255.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(6-methoxy-2-naphthyl)methanamine N-(cyclobutylmethyl)-1-(6-methox…

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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) 3.76 8.87 -46 2 2 1 26 256.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(2-naphthyl)methanamine N-(cyclobutylmethyl)-1-(2-naphth…

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) 3.72 9.58 -42.69 2 1 1 17 226.343 4 ↓

Parameters Provided:

ring.id = 217295
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 = 217295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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