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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: 5-(6-chloropyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-(6-chloropyrimidin-4-yl)-6,7-d…

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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) 2.52 7.9 -5.68 0 3 0 29 251.742 1 ↓

Analogs

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Popular Name: 5-(2-chloro-6-methyl-pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-(2-chloro-6-methyl-pyrimidin-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) 2.94 7.86 -7.42 0 3 0 29 265.769 1 ↓

Analogs

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Popular Name: (4S)-5-(2-chloro-6-methyl-pyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-(2-chloro-6-methyl-pyrimi…

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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) 3.50 8.52 -6.9 0 3 0 29 279.796 1 ↓

Analogs

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Popular Name: (4R)-5-(2-chloro-6-methyl-pyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-(2-chloro-6-methyl-pyrimi…

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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) 3.50 7.59 -7.56 0 3 0 29 279.796 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(6-chloro-2-methyl-pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-(6-chloro-2-methyl-pyrimidin-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) 2.61 7.82 -5.89 0 3 0 29 265.769 1 ↓

Analogs

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Popular Name: (4S)-5-(6-chloro-2-methyl-pyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-(6-chloro-2-methyl-pyrimi…

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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) 3.17 8.48 -5.47 0 3 0 29 279.796 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-(6-chloro-2-methyl-pyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-(6-chloro-2-methyl-pyrimi…

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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) 3.17 7.54 -5.16 0 3 0 29 279.796 1 ↓

Analogs

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Popular Name: (4R)-5-(2-chloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-(2-chloropyrimidin-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) 3.06 6.97 -7.8 0 3 0 29 265.769 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(2-chloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-(2-chloropyrimidin-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) 3.06 7.91 -6.91 0 3 0 29 265.769 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-(6-chloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-(6-chloropyrimidin-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) 3.08 7.61 -5.06 0 3 0 29 265.769 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(6-chloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-(6-chloropyrimidin-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) 3.08 8.54 -5.24 0 3 0 29 265.769 1 ↓

Analogs

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Popular Name: (4R)-5-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic (4R)-5-(2-methylpyrimidin-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) 1.02 8 -47.92 0 5 -1 69 274.325 2 ↓
Mid Mid (pH 6-8) 1.02 8.44 -50.34 1 5 0 70 275.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(2-methylpyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic (4S)-5-(2-methylpyrimidin-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) 1.02 7.4 -57.01 0 5 -1 69 274.325 2 ↓
Mid Mid (pH 6-8) 1.02 7.84 -51.52 1 5 0 70 275.333 2 ↓

Parameters Provided:

ring.id = 21787
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 = 21787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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