UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11997464
11997464

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Popular Name: 2-methoxy-N-[[(3S)-8-[(4-methoxy-1-naphthyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]acetamide 2-methoxy-N-[[(3S)-8-[(4-methoxy…

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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) 2.83 -1.29 -50.75 2 6 1 61 413.538 7 ↓

Analogs

11997460
11997460

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Popular Name: 2-methoxy-N-[[(3R)-8-[(4-methoxy-1-naphthyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]acetamide 2-methoxy-N-[[(3R)-8-[(4-methoxy…

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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) 2.83 -1.2 -53.48 2 6 1 61 413.538 7 ↓

Analogs

12035055
12035055

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Popular Name: N-[[(3S)-8-[(4-methoxy-1-naphthyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]acetamide N-[[(3S)-8-[(4-methoxy-1-naphthy…

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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) 2.89 -1.21 -49.23 2 5 1 52 383.512 5 ↓

Analogs

12035054
12035054

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Popular Name: N-[[(3R)-8-[(4-methoxy-1-naphthyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]acetamide N-[[(3R)-8-[(4-methoxy-1-naphthy…

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) 2.89 -1.16 -48.12 2 5 1 52 383.512 5 ↓

Parameters Provided:

ring.id = 68435
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 = 68435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68435&filter.purchasability=annotated

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