UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15935585
15935585
15935586
15935586
20512696
20512696
20512699
20512699
20512705
20512705

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Popular Name: N-[3-[(2R,6R)-2,6-dimethyl-1-piperidyl]propyl]-3-(oxoBLAHyl)propanamide N-[3-[(2R,6R)-2,6-dimethyl-1-pip…

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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) 3.44 10.82 -46.36 2 7 1 73 410.542 7 ↓

Analogs

15935586
15935586
15935583
15935583

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S,6R)-2,6-dimethyl-1-piperidyl]propyl]-3-(oxoBLAHyl)propanamide N-[3-[(2S,6R)-2,6-dimethyl-1-pip…

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) 3.44 10.82 -45.82 2 7 1 73 410.542 7 ↓

Analogs

20512696
20512696
20512699
20512699
20512705
20512705
20512708
20512708
15935583
15935583

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2S,6S)-2,6-dimethyl-1-piperidyl]propyl]-3-(oxoBLAHyl)propanamide N-[3-[(2S,6S)-2,6-dimethyl-1-pip…

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) 3.44 10.81 -46.39 2 7 1 73 410.542 7 ↓

Parameters Provided:

ring.id = 254147
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 = 254147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=254147&filter.purchasability=annotated

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