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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-thienyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-me…

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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) 4.45 8.96 -39.76 2 1 1 17 274.434 3 ↓
Mid Mid (pH 6-8) 4.45 7.49 -4.44 1 1 0 12 273.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-thienyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-me…

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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) 4.45 8.71 -39.28 2 1 1 17 274.434 3 ↓
Mid Mid (pH 6-8) 4.45 7.84 -4.66 1 1 0 12 273.426 3 ↓

Analogs

35499452
35499452
42890801
42890801
42890805
42890805

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(5-methyl-2-thienyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-me…

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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 9.4 -40.4 2 1 1 17 274.434 3 ↓
Mid Mid (pH 6-8) 4.29 8.17 -4.93 1 1 0 12 273.426 3 ↓

Analogs

42890801
42890801
42890805
42890805
42890862
42890862
42890867
42890867
35499450
35499450

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(5-methyl-2-thienyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-me…

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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 9.24 -39.67 2 1 1 17 274.434 3 ↓
Mid Mid (pH 6-8) 4.29 8.29 -4.56 1 1 0 12 273.426 3 ↓

Analogs

35499470
35499470

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Popular Name: (1R)-1-(benzothiophen-3-yl)-1-(5-bromo-2-thienyl)-N-methyl-methanamine (1R)-1-(benzothiophen-3-yl)-1-(5…

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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) 5.00 9.29 -44.22 2 1 1 17 339.303 3 ↓
Mid Mid (pH 6-8) 5.00 8.2 -4.38 1 1 0 12 338.295 3 ↓

Analogs

35499468
35499468

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzothiophen-3-yl)-1-(5-bromo-2-thienyl)-N-methyl-methanamine (1S)-1-(benzothiophen-3-yl)-1-(5…

Find On: PubMed — Wikipedia — Google

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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) 5.00 9.14 -43.45 2 1 1 17 339.303 3 ↓
Mid Mid (pH 6-8) 5.00 8.07 -4.35 1 1 0 12 338.295 3 ↓

Analogs

42890656
42890656
42890661
42890661
42890862
42890862
42890867
42890867
42890921
42890921

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(benzothiophen-3-yl)-N-methyl-1-(2-thienyl)methanamine (1R)-1-(benzothiophen-3-yl)-N-me…

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) 4.07 8.56 -40.66 2 1 1 17 260.407 3 ↓
Mid Mid (pH 6-8) 4.07 7.47 -4.61 1 1 0 12 259.399 3 ↓

Analogs

42890656
42890656
42890661
42890661
42890862
42890862
42890867
42890867
42890921
42890921

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(benzothiophen-3-yl)-N-methyl-1-(2-thienyl)methanamine (1S)-1-(benzothiophen-3-yl)-N-me…

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) 4.07 8.41 -39.89 2 1 1 17 260.407 3 ↓
Mid Mid (pH 6-8) 4.07 7.34 -4.6 1 1 0 12 259.399 3 ↓

Parameters Provided:

ring.id = 17923
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 = 17923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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