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

6118794
6118794
6118801
6118801

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Popular Name: 1-(5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)-2-(2-nitrophenoxy)-ethanone 1-(5-methyl-6-thia-2-azabicyclo[…

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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) 3.83 2.2 -21.02 0 6 0 75 358.419 4 ↓

Analogs

6118794
6118794
6118801
6118801

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Popular Name: 1-(5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)-2-(2-nitrophenoxy)-ethanone 1-(5-methyl-6-thia-2-azabicyclo[…

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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) 3.83 2.19 -21 0 6 0 75 358.419 4 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(2R)-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) 5.05 12.16 -47.16 0 5 -1 70 425.313 4 ↓

Analogs

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Popular Name: 3,5-dichloro-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[(2S)-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) 5.05 12.15 -47.48 0 5 -1 70 425.313 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.68 14.1 -11.17 0 5 0 56 454.375 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.68 14.1 -10.74 0 5 0 56 454.375 6 ↓

Analogs

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Popular Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]benzamide 4-[2-(3,4-dihydro-2H-1,5-benzoth…

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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) 2.38 7.43 -15.23 2 5 0 73 342.42 4 ↓

Analogs

14229749
14229749

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Popular Name: (2R)-2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one (2R)-2-(4-chlorophenoxy)-1-(3,4-…

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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) 4.60 11.35 -9.88 0 3 0 30 347.867 3 ↓

Analogs

14229746
14229746

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Popular Name: (2S)-2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one (2S)-2-(4-chlorophenoxy)-1-(3,4-…

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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) 4.60 11.3 -10.1 0 3 0 30 347.867 3 ↓

Analogs

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Popular Name: 4-[4-[(1S)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-methyl-2-oxo-ethoxy]phenyl]butan-2-one 4-[4-[(1S)-2-(3,4-dihydro-2H-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) 4.17 12.97 -14.59 0 4 0 47 383.513 6 ↓

Analogs

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Popular Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3-methylsulfonylphenoxy)ethanone 1-(3,4-dihydro-2H-1,5-benzothiaz…

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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) 2.41 8.2 -19.67 0 5 0 64 377.487 4 ↓

Parameters Provided:

ring.id = 3232
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 = 3232 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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