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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(4-methoxyphenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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 9.06 -23.4 2 8 0 95 472.582 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(4-methoxyphenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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 9.15 -23.39 2 8 0 95 472.582 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(2-methoxyphenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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) 3.39 9.98 -29.3 2 8 0 95 472.582 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(2-methoxyphenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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) 3.39 10.02 -29.39 2 8 0 95 472.582 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(2-methoxyphenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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) 3.39 10.02 -33.02 2 8 0 95 472.582 15 ↓

Analogs

6309973
6309973

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(4-chlorophenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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) 5.52 11.47 -24.31 2 6 0 77 481.42 13 ↓

Analogs

6309973
6309973

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(4-chlorophenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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) 5.52 11.6 -20.75 2 6 0 77 481.42 13 ↓

Analogs

6309973
6309973

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N,N'-1,6-hexanediylbis[2-(4-chlorophenoxy)- propanamide, N,N'-1,6-hexanediyl…

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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) 5.52 11.51 -20.82 2 6 0 77 481.42 13 ↓

Analogs

37022768
37022768
37022769
37022769
37093898
37093898
37093899
37093899
37093900
37093900

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Popular Name: (2R)-2-(2,5-dimethylphenoxy)-N-[6-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]hexyl]propanamide (2R)-2-(2,5-dimethylphenoxy)-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) 5.82 13.25 -21.62 2 6 0 77 468.638 13 ↓

Analogs

37022768
37022768
37022769
37022769
37093900
37093900
37093901
37093901

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,5-dimethylphenoxy)-N-[6-[[(2S)-2-(2,5-dimethylphenoxy)propanoyl]amino]hexyl]propanamide (2S)-2-(2,5-dimethylphenoxy)-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) 5.82 13.35 -21.6 2 6 0 77 468.638 13 ↓

Analogs

37022768
37022768
37022769
37022769
37093900
37093900
37093901
37093901
37094141
37094141

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,5-dimethylphenoxy)-N-[6-[[(2S)-2-(2,5-dimethylphenoxy)propanoyl]amino]hexyl]propanamide (2R)-2-(2,5-dimethylphenoxy)-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) 5.82 13.27 -21.62 2 6 0 77 468.638 13 ↓

Analogs

34657471
34657471
34657474
34657474
34657747
34657747
34657749
34657749
34658039
34658039

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Popular Name: butanamide, N,N'-1,6-hexanediylbis[2-(4-methylphenoxy)- butanamide, N,N'-1,6-hexanediylb…

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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) 6.07 13 -21.62 2 6 0 77 468.638 15 ↓

Analogs

34657471
34657471
34657474
34657474
34657747
34657747
34657749
34657749
34658039
34658039

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, N,N'-1,6-hexanediylbis[2-(4-methylphenoxy)- butanamide, N,N'-1,6-hexanediylb…

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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) 6.07 13.07 -21.65 2 6 0 77 468.638 15 ↓

Analogs

34657471
34657471
34657474
34657474

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, N,N'-1,6-hexanediylbis[2-(4-methylphenoxy)- butanamide, N,N'-1,6-hexanediylb…

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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) 6.07 13.01 -21.66 2 6 0 77 468.638 15 ↓

Parameters Provided:

ring.id = 228872
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 = 228872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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