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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azepan-1-ylsulfonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(azepan-1-ylsulfonyl)-3-m…

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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) 1.13 4.67 -45.87 0 6 -1 81 289.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azepan-1-ylsulfonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(azepan-1-ylsulfonyl)-3-m…

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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) 1.13 4.69 -48.7 0 6 -1 81 289.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azepan-1-ylsulfonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(azepan-1-ylsulfonyl)-3-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) 1.46 5.15 -45 0 6 -1 81 303.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azepan-1-ylsulfonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(azepan-1-ylsulfonyl)-3-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) 1.46 5.25 -53.64 0 6 -1 81 303.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(azepan-1-ylsulfonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(azepan-1-ylsulfonyl)-3-p…

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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) 2.02 5.92 -45.32 0 6 -1 81 317.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(azepan-1-ylsulfonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(azepan-1-ylsulfonyl)-3-p…

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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) 2.02 6.01 -54.03 0 6 -1 81 317.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(azepan-1-ylsulfonyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(azepan-1-ylsulfonyl)-N-m…

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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) 0.63 2.17 -20.5 1 6 0 70 289.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(azepan-1-ylsulfonyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(azepan-1-ylsulfonyl)-N-m…

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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) 0.63 3.33 -20.74 1 6 0 70 289.401 3 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-(azepan-1-ylsulfonyl)-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-(azepan-1-ylsu…

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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) 0.22 3.17 -71.29 3 7 1 89 347.505 5 ↓
Hi High (pH 8-9.5) 0.22 2.87 -20.16 2 7 0 87 346.497 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-1-(azepan-1-ylsulfonyl)-N,N-diethyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-(azepan-1-ylsu…

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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) 0.22 3.49 -69.5 3 7 1 89 347.505 5 ↓
Hi High (pH 8-9.5) 0.22 2.87 -19.84 2 7 0 87 346.497 5 ↓

Analogs

42434473
42434473

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]methanol [(2R)-1-(azepan-1-ylsulfonyl)pyr…

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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) 0.89 1.01 -10.93 1 5 0 61 262.375 3 ↓

Analogs

42434472
42434472

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(azepan-1-ylsulfonyl)pyrrolidin-2-yl]methanol [(2S)-1-(azepan-1-ylsulfonyl)pyr…

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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) 0.89 0.96 -11.19 1 5 0 61 262.375 3 ↓

Parameters Provided:

ring.id = 190985
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 = 190985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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