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

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Popular Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-BLAHylsulfanyl-acetamide N-[1-(4-methoxyphenyl)-2-methyl-…

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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) 4.79 -0.44 -15.14 1 6 0 69 426.567 7 ↓

Analogs

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Popular Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-BLAHylsulfanyl-acetamide N-[1-(4-methoxyphenyl)-2-methyl-…

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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) 4.79 -0.43 -15.13 1 6 0 69 426.567 7 ↓

Analogs

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Popular Name: 3-[benzyl-(2-BLAHylsulfanylacetyl)-amino]propanamide 3-[benzyl-(2-BLAHylsulfanylacety…

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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) 2.67 -2.32 -19.77 2 7 0 94 425.539 8 ↓

Analogs

11975430
11975430
36818155
36818155
3495715
3495715

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Popular Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-BLAHylsulfanyl-acetamide N-[1-(4-fluorophenyl)ethyl]-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) 4.39 1.43 -15.82 0 5 0 51 400.504 5 ↓

Analogs

36818155
36818155
11975424
11975424
3495715
3495715

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-BLAHylsulfanyl-acetamide N-[1-(4-fluorophenyl)ethyl]-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) 4.39 2.26 -15.23 0 5 0 51 400.504 5 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[5,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamid N-[(3-fluorophenyl)methyl]-N-met…

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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) 3.81 11.87 -14.98 0 5 0 51 386.477 5 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide N-[(3-methoxyphenyl)methyl]-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) 3.46 8.91 -15.7 1 6 0 69 384.486 6 ↓

Analogs

16763458
16763458

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Popular Name: (2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[5,4-b][1,3]benzothiazol-1-ylsulfanyl)propan (2R)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 4.51 11.19 -16.11 1 5 0 59 400.504 5 ↓

Analogs

16763458
16763458

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Popular Name: (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[5,4-b][1,3]benzothiazol-1-ylsulfanyl)propan (2R)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 4.51 11.19 -16.22 1 5 0 59 400.504 5 ↓

Analogs

16763458
16763458

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[5,4-b][1,3]benzothiazol-1-ylsulfanyl)propan (2S)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 4.51 11.21 -16.28 1 5 0 59 400.504 5 ↓

Analogs

16763458
16763458

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[5,4-b][1,3]benzothiazol-1-ylsulfanyl)propan (2S)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 4.51 11.21 -16.08 1 5 0 59 400.504 5 ↓

Parameters Provided:

ring.id = 57452
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 = 57452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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