UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11998362
11998362
11998364
11998364
11998368
11998368

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Popular Name: (2R)-N-[[(3S)-8-benzyl-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methoxy-2-phenyl-acetamide (2R)-N-[[(3S)-8-benzyl-4-oxa-8-a…

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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) 3.25 -1.01 -49.83 2 5 1 52 409.55 7 ↓

Analogs

11998364
11998364
11998368
11998368
11998358
11998358

Draw Identity 99% 90% 80% 70%

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

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) 3.25 -1.05 -49.45 2 5 1 52 409.55 7 ↓

Analogs

11998368
11998368
11998358
11998358
11998362
11998362

Draw Identity 99% 90% 80% 70%

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

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) 3.25 -0.93 -45.93 2 5 1 52 409.55 7 ↓

Analogs

11998358
11998358
11998362
11998362

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(3R)-8-benzyl-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-2-methoxy-2-phenyl-acetamide (2S)-N-[[(3R)-8-benzyl-4-oxa-8-a…

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) 3.25 -0.96 -46.4 2 5 1 52 409.55 7 ↓

Parameters Provided:

ring.id = 68964
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 = 68964 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68964&filter.purchasability=annotated

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