UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20597455
20597455
20597456
20597456
35773133
35773133

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Popular Name: N-cyclopentyl-N-methyl-2-[(2S)-2-piperidyl]acetamide N-cyclopentyl-N-methyl-2-[(2S)-2…

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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) 3.24 6.37 -32.6 2 3 1 37 225.356 3 ↓

Analogs

20597455
20597455
20597456
20597456
35773133
35773133

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-methyl-2-[(2R)-2-piperidyl]acetamide N-cyclopentyl-N-methyl-2-[(2R)-2…

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) 3.24 6.37 -32.38 2 3 1 37 225.356 3 ↓

Analogs

42439034
42439034

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-[(2S)-2-piperidyl]acetamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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) 1.97 3.52 -38.22 4 5 1 80 268.381 5 ↓

Analogs

42439033
42439033

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-[(2R)-2-piperidyl]acetamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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) 1.97 3.52 -33.82 4 5 1 80 268.381 5 ↓

Parameters Provided:

ring.id = 144775
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 = 144775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=144775&filter.purchasability=annotated

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