UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11818220
11818220
39638227
39638227
39638228
39638228
39638229
39638229
39638230
39638230

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Popular Name: (3S)-1-(2-methoxyethyl)-N-[3-(4-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide (3S)-1-(2-methoxyethyl)-N-[3-(4-…

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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) 1.91 -1.26 -15.52 1 6 0 68 348.443 9 ↓

Analogs

39696870
39696870
39696871
39696871
11818219
11818219

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Popular Name: (3R)-1-(2-methoxyethyl)-N-[3-(4-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide (3R)-1-(2-methoxyethyl)-N-[3-(4-…

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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) 1.91 -1.46 -13.83 1 6 0 68 348.443 9 ↓

Analogs

11996890
11996890

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Popular Name: (3S)-1-(2-methoxyethyl)-N-[3-(2-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide (3S)-1-(2-methoxyethyl)-N-[3-(2-…

Find On: PubMed — Wikipedia — Google

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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) 1.86 -1.17 -14.73 1 6 0 68 348.443 9 ↓

Analogs

11996888
11996888

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Popular Name: (3R)-1-(2-methoxyethyl)-N-[3-(2-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide (3R)-1-(2-methoxyethyl)-N-[3-(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) 1.86 -1.38 -13.03 1 6 0 68 348.443 9 ↓

Parameters Provided:

ring.id = 51198
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 = 51198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=51198&filter.purchasability=annotated

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