UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43605233
43605233
32103644
32103644
32113594
32113594
32113593
32113593

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Popular Name: N-cyclopropyl-3-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]propanamide N-cyclopropyl-3-(cyclopropylamin…

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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) 1.86 8.97 -41.29 2 4 1 46 289.399 8 ↓

Analogs

55053885
55053885
55053889
55053889
55800883
55800883
32107730
32107730
32116261
32116261

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Popular Name: N-cyclopropyl-3-(cyclopropylamino)-N-[(3,4-dichlorophenyl)methyl]propanamide N-cyclopropyl-3-(cyclopropylamin…

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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) 3.13 9.21 -42.91 2 3 1 37 328.263 7 ↓

Analogs

32103648
32103648

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Popular Name: N-cyclopropyl-3-(cyclopropylamino)-N-[(3-hydroxyphenyl)methyl]propanamide N-cyclopropyl-3-(cyclopropylamin…

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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) 1.35 5.37 -43.85 3 4 1 57 275.372 7 ↓

Parameters Provided:

ring.id = 577709
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 = 577709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=577709&filter.purchasability=annotated

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