UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-N-cyclopropyl-1-[(1R)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperidine-3-carboxamide (3S)-N-cyclopropyl-1-[(1R)-2,2-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) 1.73 6.31 -11.32 1 4 0 49 319.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-1-[(1S)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperidine-3-carboxamide (3S)-N-cyclopropyl-1-[(1S)-2,2-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) 1.73 6.31 -8.54 1 4 0 49 319.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-1-[(1R)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperidine-3-carboxamide (3R)-N-cyclopropyl-1-[(1R)-2,2-d…

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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) 1.73 6.33 -8.58 1 4 0 49 319.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-1-[(1S)-2,2-dichloro-1-methyl-cyclopropanecarbonyl]piperidine-3-carboxamide (3R)-N-cyclopropyl-1-[(1S)-2,2-d…

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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) 1.73 6.33 -11.6 1 4 0 49 319.232 3 ↓

Analogs

37814600
37814600
37814601
37814601
37814695
37814695
37814696
37814696
37814697
37814697

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Popular Name: (3S)-1-(cyclopropanecarbonyl)-N-cyclopropyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3S)-1-(cyclopropanecarbonyl)-N-…

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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) 0.39 4.45 -13.66 1 5 0 61 280.368 5 ↓

Analogs

37814600
37814600
37814601
37814601
37814695
37814695
37814696
37814696
37814697
37814697

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3R)-1-(cyclopropanecarbonyl)-N-…

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) 0.39 4.29 -14.65 1 5 0 61 280.368 5 ↓

Parameters Provided:

ring.id = 10738
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 = 10738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=10738&filter.purchasability=annotated

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