UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11838795
11838795
39634109
39634109

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Popular Name: (3R)-N-cyclopropyl-1-[1-(3-methylbenzoyl)-4-piperidyl]piperidine-3-carboxamide (3R)-N-cyclopropyl-1-[1-(3-methy…

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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) 1.99 -1.27 -46.92 2 5 1 54 370.517 4 ↓

Analogs

39634109
39634109
11838793
11838793

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Popular Name: (3S)-N-cyclopropyl-1-[1-(3-methylbenzoyl)-4-piperidyl]piperidine-3-carboxamide (3S)-N-cyclopropyl-1-[1-(3-methy…

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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) 1.99 -1.49 -47.66 2 5 1 54 370.517 4 ↓

Analogs

11840420
11840420
37987907
37987907

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Popular Name: (3R)-N-cyclopropyl-1-[1-(4-fluorobenzoyl)-4-piperidyl]piperidine-3-carboxamide (3R)-N-cyclopropyl-1-[1-(4-fluor…

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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) 1.73 -1.08 -48.49 2 5 1 54 374.48 4 ↓

Analogs

37987907
37987907
11840419
11840419

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-1-[1-(4-fluorobenzoyl)-4-piperidyl]piperidine-3-carboxamide (3S)-N-cyclopropyl-1-[1-(4-fluor…

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) 1.73 -1.07 -48.42 2 5 1 54 374.48 4 ↓

Parameters Provided:

ring.id = 57883
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 = 57883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=57883&filter.purchasability=annotated

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