UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(1-ethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-(1-ethylpyrazol-4-yl)sulfonyl-…

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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) 1.27 4.3 -12.24 0 5 0 55 297.405 3 ↓

Analogs

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Popular Name: 1-methyl-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]pyrazol-3-amine 1-methyl-4-[[(4R)-4-methyl-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) 1.06 3.02 -12.7 2 6 0 81 312.42 2 ↓

Analogs

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Popular Name: 1-methyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]pyrazol-3-amine 1-methyl-4-[[(4S)-4-methyl-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) 1.06 3.19 -12.17 2 6 0 81 312.42 2 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]pyrazol-3-amine 1-ethyl-4-[[(4S)-4-methyl-6,7-di…

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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) 1.44 4.05 -11.85 2 6 0 81 326.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]pyrazol-3-amine 1-ethyl-4-[[(4R)-4-methyl-6,7-di…

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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) 1.44 3.83 -12.58 2 6 0 81 326.447 3 ↓

Analogs

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Popular Name: 5-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-[(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) 1.05 2.4 -10.23 1 5 0 66 283.378 2 ↓

Analogs

37840371
37840371
37840374
37840374
37840375
37840375
42782268
42782268
42782269
42782269

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Popular Name: (4R)-4-ethyl-5-(1H-pyrazol-4-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-4-ethyl-5-(1H-pyrazol-4-yls…

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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 2.84 -10.14 1 5 0 66 297.405 3 ↓

Analogs

37840374
37840374
37840375
37840375
42782268
42782268
42782269
42782269
37840370
37840370

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-5-(1H-pyrazol-4-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-ethyl-5-(1H-pyrazol-4-yls…

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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 3.71 -10.32 1 5 0 66 297.405 3 ↓

Analogs

38102160
38102160
38102161
38102161
37840371
37840371
37840370
37840370

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-ethyl-5-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-4-ethyl-5-[(5-methyl-1H-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) 2.11 4.37 -10.7 1 5 0 66 311.432 3 ↓

Analogs

38102160
38102160
38102161
38102161
37840371
37840371
37840370
37840370

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-5-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-ethyl-5-[(5-methyl-1H-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) 2.11 4.04 -9.98 1 5 0 66 311.432 3 ↓

Parameters Provided:

ring.id = 393902
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 = 393902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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