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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12641992
12641992
12642135
12642135
12642142
12642142
12642146
12642146
33939812
33939812

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Popular Name: N-cyclohexyl-N'-cyclopentyl-isobutyl-keto-BLAHdicarboxamide N-cyclohexyl-N'-cyclopentyl-isob…

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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) 3.16 7.5 -18.16 2 7 0 88 443.588 6 ↓

Analogs

33939812
33939812
33939814
33939814
33939827
33939827
33939829
33939829
33939831
33939831

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N'-cyclopentyl-isopropyl-keto-BLAHdicarboxamide N-cyclohexyl-N'-cyclopentyl-isop…

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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) 2.71 7.17 -19.1 2 7 0 88 429.561 5 ↓

Analogs

4895671
4895671
4895673
4895673
12471974
12471974
12471982
12471982
12642025
12642025

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-N-cyclohexyl-N'-cyclopentyl-keto-BLAHdicarboxamide allyl-N-cyclohexyl-N'-cyclopenty…

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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) 2.69 -4.01 -29.69 2 7 0 87 427.545 6 ↓

Parameters Provided:

ring.id = 226004
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 = 226004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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