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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: (4R)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-propyl-azepane (4R)-1-(5-chloro-1,3-dimethyl-py…

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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) 3.31 6.21 -8.96 0 5 0 55 333.885 4 ↓

Analogs

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Popular Name: (4S)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-propyl-azepane (4S)-1-(5-chloro-1,3-dimethyl-py…

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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) 3.31 5.91 -9.46 0 5 0 55 333.885 4 ↓

Analogs

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Popular Name: (4R)-4-propyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-azepane (4R)-4-propyl-1-(1,3,5-trimethyl…

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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) 2.73 6.3 -11.2 0 5 0 55 313.467 4 ↓

Analogs

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Popular Name: (4S)-4-propyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-azepane (4S)-4-propyl-1-(1,3,5-trimethyl…

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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) 2.73 6.04 -11.34 0 5 0 55 313.467 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-1-(1H-pyrazol-4-ylsulfonyl)azepane (2R)-2-methyl-1-(1H-pyrazol-4-yl…

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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) 1.30 1.7 -10.65 1 5 0 66 243.332 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-(1H-pyrazol-4-ylsulfonyl)azepane (2S)-2-methyl-1-(1H-pyrazol-4-yl…

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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) 1.30 1.72 -10.4 1 5 0 66 243.332 2 ↓

Analogs

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Popular Name: methyl 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) 1.11 3.84 -11.61 0 7 0 82 301.368 4 ↓

Analogs

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Popular Name: 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepane 1-[(5-methyl-1H-pyrazol-4-yl)sul…

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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) 1.20 2.03 -11.38 1 5 0 66 243.332 2 ↓

Parameters Provided:

ring.id = 174728
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 = 174728 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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