UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34929014
34929014
34929016
34929016
28824953
28824953

Draw Identity 99% 90% 80% 70%

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

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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) 3.35 6.95 -46.61 3 3 1 48 279.448 1 ↓
Hi High (pH 8-9.5) 3.35 6.7 -5.96 2 3 0 46 278.44 1 ↓

Analogs

34929014
34929014
34929016
34929016
28824953
28824953

Draw Identity 99% 90% 80% 70%

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

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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) 3.35 6.99 -46.07 3 3 1 48 279.448 1 ↓
Hi High (pH 8-9.5) 3.35 6.84 -5.97 2 3 0 46 278.44 1 ↓

Analogs

35491332
35491332
35491336
35491336
19795252
19795252

Draw Identity 99% 90% 80% 70%

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

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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) 2.14 7.14 -50.58 3 3 1 48 279.448 1 ↓

Analogs

35491332
35491332
35491336
35491336
19795252
19795252

Draw Identity 99% 90% 80% 70%

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

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) 2.14 6.69 -40.39 3 3 1 48 279.448 1 ↓

Parameters Provided:

ring.id = 578679
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 = 578679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=578679&filter.purchasability=annotated

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