UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19510192
19510192

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Popular Name: 2-[(2S)-pyrrolidin-2-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone 2-[(2S)-pyrrolidin-2-yl]-1-[(6R)…

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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) 2.35 4.77 -35.56 2 4 1 46 241.355 2 ↓

Analogs

19510192
19510192

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-pyrrolidin-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone 2-[(2S)-pyrrolidin-2-yl]-1-[(6S)…

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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) 2.35 4.77 -36.15 2 4 1 46 241.355 2 ↓

Analogs

19510192
19510192

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-pyrrolidin-2-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone 2-[(2R)-pyrrolidin-2-yl]-1-[(6R)…

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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) 2.35 4.76 -36.38 2 4 1 46 241.355 2 ↓

Analogs

19510192
19510192

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-pyrrolidin-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone 2-[(2R)-pyrrolidin-2-yl]-1-[(6S)…

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) 2.35 4.77 -35.83 2 4 1 46 241.355 2 ↓

Analogs

35777673
35777673
35777676
35777676
35777679
35777679
35777682
35777682

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(3,3-dimethylmorpholin-4-yl)-2…

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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) 1.99 3.77 -34.93 2 4 1 46 227.328 2 ↓

Analogs

35777673
35777673
35777676
35777676
35777679
35777679
35777682
35777682

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-2-[(2R)-pyrrolidin-2-yl]ethanone 1-(3,3-dimethylmorpholin-4-yl)-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) 1.99 3.77 -35.47 2 4 1 46 227.328 2 ↓

Parameters Provided:

ring.id = 567910
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 = 567910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=567910&filter.purchasability=annotated

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