UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35222677
35222677
35222676
35222676

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Popular Name: [(2S)-pyrrolidin-2-yl]-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone [(2S)-pyrrolidin-2-yl]-[(1S,5R)-…

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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) 2.13 6.84 -35.65 2 3 1 37 251.394 1 ↓

Analogs

35222677
35222677
35222676
35222676

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-pyrrolidin-2-yl]-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone [(2S)-pyrrolidin-2-yl]-[(1R,5S)-…

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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) 2.13 6.81 -37.45 2 3 1 37 251.394 1 ↓

Analogs

36827082
36827082
36827081
36827081
36827080
36827080
36827079
36827079
37413712
37413712

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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) 1.22 3.54 -40.41 3 4 1 57 267.393 1 ↓

Analogs

36827082
36827082
36827081
36827081
36827080
36827080
36827079
36827079
37413712
37413712

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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) 1.22 3.39 -40.72 3 4 1 57 267.393 1 ↓

Parameters Provided:

ring.id = 578673
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 = 578673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=578673&filter.purchasability=annotated

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