UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42823626
42823626
42823629
42823629
42823935
42823935

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Popular Name: acetamide, 2-(cyclohexylamino)-N-[(tetrahydro-2-furanyl)methyl]- acetamide, 2-(cyclohexylamino)-N…

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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) 1.99 3.5 -38.46 3 4 1 55 241.355 5 ↓
Hi High (pH 8-9.5) 1.99 2.32 -6.97 2 4 0 50 240.347 5 ↓

Analogs

42823626
42823626
42823629
42823629
42823935
42823935

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-(cyclohexylamino)-N-[(tetrahydro-2-furanyl)methyl]- acetamide, 2-(cyclohexylamino)-N…

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) 1.99 3.54 -38.37 3 4 1 55 241.355 5 ↓
Hi High (pH 8-9.5) 1.99 2.36 -6.97 2 4 0 50 240.347 5 ↓

Analogs

42465820
42465820
42465822
42465822
42466074
42466074
42466076
42466076
42470711
42470711

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-(cyclohexylmethylamino)-N-[(tetrahydro-2-furanyl)methyl]- acetamide, 2-(cyclohexylmethylam…

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) 2.23 5.38 -34.23 2 4 1 43 255.382 5 ↓
Hi High (pH 8-9.5) 2.23 2.94 -7.04 1 4 0 42 254.374 5 ↓

Analogs

42465820
42465820
42465822
42465822
42466074
42466074
42466076
42466076
42470711
42470711

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-(cyclohexylmethylamino)-N-[(tetrahydro-2-furanyl)methyl]- acetamide, 2-(cyclohexylmethylam…

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) 2.23 5.42 -34.31 2 4 1 43 255.382 5 ↓
Hi High (pH 8-9.5) 2.23 2.98 -7 1 4 0 42 254.374 5 ↓

Parameters Provided:

ring.id = 496530
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 = 496530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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