UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42591591
42591591
36785773
36785773
36785775
36785775

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Popular Name: 1-amino-N-(cyclohexylmethyl)-N-cyclopropyl-cyclohexanecarboxamide 1-amino-N-(cyclohexylmethyl)-N-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) 3.70 7.61 -46.47 3 3 1 48 279.448 4 ↓
Hi High (pH 8-9.5) 3.70 7.4 -4.51 2 3 0 46 278.44 4 ↓

Analogs

39104223
39104223
42591535
42591535
49475551
49475551
59540034
59540034

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Popular Name: 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-cyclohexanecarboxamide 4-amino-N-(cyclohexylmethyl)-N-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) 2.50 7.28 -50.77 3 3 1 48 279.448 4 ↓

Parameters Provided:

ring.id = 577961
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 = 577961 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=577961&filter.purchasability=annotated

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