UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45654179
45654179
45654181
45654181
1621253
1621253
13472655
13472655

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Popular Name: 8-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]quinolin-5-amine 8-methyl-N-[(1R,5S)-8-methyl-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) 3.92 8.36 -41.73 2 3 1 29 282.411 2 ↓
Mid Mid (pH 6-8) 3.92 8.71 -75.98 3 3 2 31 283.419 2 ↓

Analogs

45654183
45654183
45654185
45654185
1591906
1591906
8581115
8581115

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Popular Name: 8-chloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]quinolin-5-amine 8-chloro-N-[(1S,5R)-8-methyl-8-a…

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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) 4.15 8.17 -44.84 2 3 1 29 302.829 2 ↓

Parameters Provided:

ring.id = 147718
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 = 147718 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=147718&filter.purchasability=annotated

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