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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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4,5,6,7-tetrahy…

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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) 1.98 7.56 -58.66 1 6 -1 85 308.383 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4,5,6,7-tetrahy…

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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) 1.98 7.68 -63.18 1 6 -1 85 308.383 2 ↓

Analogs

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Popular Name: (2R)-2-(hydroxymethyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrolidine-1-carbo (2R)-2-(hydroxymethyl)-N-[(6R)-6…

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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) 2.22 6.15 -16.74 2 5 0 65 295.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(hydroxymethyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrolidine-1-carbo (2R)-2-(hydroxymethyl)-N-[(6S)-6…

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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) 2.22 6.15 -16.74 2 5 0 65 295.408 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-2-carboxylic (2S)-1-(4,5,6,7-tetrahydro-1,3-b…

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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) 0.16 7.46 -58.12 1 6 -1 85 294.356 2 ↓

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(4,5,6,7-tet…

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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) -0.75 4.08 -59.69 2 7 -1 106 310.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(4,5,6,7-tet…

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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) -0.75 4.08 -58.76 2 7 -1 106 310.355 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(4,5,6,7-tetrahydro-1,…

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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) 1.89 7.58 -53.07 1 6 -1 85 308.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(4,5,6,7-tetrahydro-1,…

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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) 1.89 7.51 -52.89 1 6 -1 85 308.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-2-carboxylic (2R)-1-(4,5,6,7-tetrahydro-1,3-b…

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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) 0.16 7.19 -58.55 1 6 -1 85 294.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(4,5,6,7-tet…

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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) -0.75 3.81 -59.13 2 7 -1 106 310.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(4,5,6,7-tet…

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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) -0.75 3.81 -60.15 2 7 -1 106 310.355 2 ↓

Parameters Provided:

ring.id = 310884
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 = 310884 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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