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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: (3S)-3-methyl-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1,4-thiazepane-…

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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 6.63 -44.29 0 5 -1 64 271.362 1 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1,4-thiazepane-…

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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 6.67 -56.77 0 5 -1 64 271.362 1 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1,4-thiazepane-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) 1.22 7.25 -47.17 0 5 -1 64 285.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1,4-thiazepane-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) 1.22 7.17 -56.02 0 5 -1 64 285.389 2 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(1,4-thiazepane-…

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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) 1.78 8.01 -47.54 0 5 -1 64 299.416 3 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(1,4-thiazepane-…

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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) 1.78 7.92 -56.4 0 5 -1 64 299.416 3 ↓

Analogs

42445043
42445043

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Popular Name: (2R)-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(1,4-thiazepane-4-carbony…

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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) -0.93 6.71 -61.14 0 5 -1 64 257.335 1 ↓

Analogs

42445041
42445041

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Popular Name: (2S)-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(1,4-thiazepane-4-carbony…

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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) -0.93 6 -44.53 0 5 -1 64 257.335 1 ↓

Analogs

42445047
42445047
42445049
42445049
42445051
42445051

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Popular Name: (2R,4R)-4-hydroxy-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(1,4-thiazep…

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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) -1.84 3.15 -65.74 1 6 -1 84 273.334 1 ↓

Analogs

42445049
42445049
42445051
42445051
42445045
42445045

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Popular Name: (2R,4S)-4-hydroxy-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(1,4-thiazep…

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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) -1.84 3.15 -67.83 1 6 -1 84 273.334 1 ↓

Analogs

42445051
42445051
42445045
42445045
42445047
42445047

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(1,4-thiazep…

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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) -1.84 2.58 -46.31 1 6 -1 84 273.334 1 ↓

Analogs

42445045
42445045
42445047
42445047
42445049
42445049

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(1,4-thiazepane-4-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(1,4-thiazep…

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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) -1.84 2.58 -47.37 1 6 -1 84 273.334 1 ↓

Analogs

42445148
42445148

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Popular Name: 2-[(2R)-1-(1,4-thiazepane-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(1,4-thiazepane-4-carb…

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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) 0.80 7.73 -65.46 0 5 -1 64 271.362 2 ↓

Analogs

42445146
42445146

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(1,4-thiazepane-4-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(1,4-thiazepane-4-carb…

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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) 0.80 6.91 -49.26 0 5 -1 64 271.362 2 ↓

Parameters Provided:

ring.id = 310118
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 = 310118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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