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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41209674
41209674
41209676
41209676
41209678
41209678

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(2S)-2-methyl-1-piperidyl]methanone [(3S)-1-(3,5-dimethylisoxazol-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) 1.47 5.58 -12.2 0 7 0 84 369.487 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(2S)-2-methyl-1-piperidyl]methanone [(3R)-1-(3,5-dimethylisoxazol-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) 1.47 5.63 -12.13 0 7 0 84 369.487 3 ↓

Analogs

41209676
41209676
41209678
41209678
41209680
41209680
53565557
53565557
26956683
26956683

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(2R)-2-ethyl-1-piperidyl]methanone [(3R)-1-(3,5-dimethylisoxazol-4-…

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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) 2.00 6.07 -12.27 0 7 0 84 383.514 4 ↓

Analogs

41209678
41209678
41209680
41209680
53565557
53565557
41209674
41209674
26956683
26956683

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(2S)-2-ethyl-1-piperidyl]methanone [(3R)-1-(3,5-dimethylisoxazol-4-…

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) 2.00 6.12 -12.04 0 7 0 84 383.514 4 ↓

Analogs

41209680
41209680
53565557
53565557
41209674
41209674
41209676
41209676
26956683
26956683

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(2R)-2-ethyl-1-piperidyl]methanone [(3S)-1-(3,5-dimethylisoxazol-4-…

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) 2.00 6.1 -12.24 0 7 0 84 383.514 4 ↓

Analogs

53565557
53565557
41209674
41209674
41209676
41209676
41209678
41209678

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(2S)-2-ethyl-1-piperidyl]methanone [(3S)-1-(3,5-dimethylisoxazol-4-…

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) 2.00 6.07 -12.08 0 7 0 84 383.514 4 ↓

Analogs

41209684
41209684
45326666
45326666
45326668
45326668
4111911
4111911

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(3S)-3-methyl-1-piperidyl]methanone [(3S)-1-(3,5-dimethylisoxazol-4-…

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) 1.38 5.69 -12.99 0 7 0 84 369.487 3 ↓

Analogs

45326666
45326666
45326668
45326668
41209682
41209682
30791571
30791571
30791578
30791578

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-[(3S)-3-methyl-1-piperidyl]methanone [(3R)-1-(3,5-dimethylisoxazol-4-…

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) 1.38 5.72 -12.7 0 7 0 84 369.487 3 ↓

Parameters Provided:

ring.id = 82878
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 = 82878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=82878&filter.purchasability=annotated

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