UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43605173
43605173
43605175
43605175
50988776
50988776
12703630
12703630
12703634
12703634

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Popular Name: 3-(cyclopropylamino)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)propanamide 3-(cyclopropylamino)-N-[(1S)-1-c…

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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) 1.27 6.74 -41.42 2 4 1 46 255.382 9 ↓

Analogs

43605173
43605173
43605175
43605175
50988776
50988776
12703630
12703630
12703634
12703634

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(cyclopropylamino)-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)propanamide 3-(cyclopropylamino)-N-[(1R)-1-c…

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) 1.27 7.16 -41.84 2 4 1 46 255.382 9 ↓

Analogs

20127232
20127232
20127233
20127233
36783213
36783213

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Popular Name: 3-(cyclopropylamino)-N-(cyclopropylmethyl)-N-methyl-propanamide 3-(cyclopropylamino)-N-(cyclopro…

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) 0.96 5.77 -41.33 2 3 1 37 197.302 6 ↓

Parameters Provided:

ring.id = 576886
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 = 576886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=576886&filter.purchasability=annotated

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