UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37840370
37840370
37840371
37840371
38102160
38102160
38102161
38102161

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

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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) 1.88 4.06 -10.46 1 5 0 66 309.416 3 ↓

Analogs

37840370
37840370
37840371
37840371
38102160
38102160
38102161
38102161

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.88 3.08 -10.09 1 5 0 66 309.416 3 ↓

Analogs

37840370
37840370
37840371
37840371
38102160
38102160
38102161
38102161
47497639
47497639

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 2.10 4.31 -9.84 1 5 0 66 323.443 3 ↓

Analogs

37840370
37840370
37840371
37840371
38102160
38102160
38102161
38102161
47497639
47497639

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.10 4.02 -11.99 1 5 0 66 323.443 3 ↓

Parameters Provided:

ring.id = 14502
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 = 14502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14502&filter.purchasability=annotated

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