UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

543763
543763

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Popular Name: 1-[[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]amino]cyclopentanecarboxylic 1-[[(6R)-2,2,6-trimethylmorpholi…

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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) 0.30 6.28 -60 1 6 -1 82 283.348 2 ↓

Analogs

543763
543763

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]cyclopentanecarboxylic 1-[[(6S)-2,2,6-trimethylmorpholi…

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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) 0.30 6.22 -58.74 1 6 -1 82 283.348 2 ↓

Analogs

49177376
49177376
49177377
49177377

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]amino]acetic 2-[cyclopentyl-[(6R)-2,2,6-trime…

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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) 0.99 7.36 -43.83 0 6 -1 73 297.375 3 ↓

Analogs

49177376
49177376
49177377
49177377

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]acetic 2-[cyclopentyl-[(6S)-2,2,6-trime…

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) 0.99 7.34 -42.48 0 6 -1 73 297.375 3 ↓

Parameters Provided:

ring.id = 321309
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 = 321309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=321309&filter.purchasability=annotated

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