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

Analogs

4410027
4410027
4410028
4410028
4895655
4895655
4895659
4895659
12467211
12467211

Draw Identity 99% 90% 80% 70%

Popular Name: N'-tert-butyl-N-cyclohexyl-isopropyl-keto-BLAHdicarboxamide N'-tert-butyl-N-cyclohexyl-isopr…

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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) 2.50 -3.22 -19.48 2 7 0 87 417.55 5 ↓

Analogs

4895668
4895668
4895669
4895669
4966953
4966953
4966955
4966955
12642014
12642014

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-N'-tert-butyl-N-cyclohexyl-keto-BLAHdicarboxamide allyl-N'-tert-butyl-N-cyclohexyl…

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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) 2.47 -3.02 -19.61 2 7 0 87 415.534 6 ↓

Analogs

12642135
12642135
12642142
12642142
12642146
12642146
12642614
12642614
12642621
12642621

Draw Identity 99% 90% 80% 70%

Popular Name: N'-tert-butyl-N-cyclohexyl-isoamyl-keto-methyl-BLAHdicarboxamide N'-tert-butyl-N-cyclohexyl-isoam…

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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) 3.93 8.46 -18.35 2 7 0 88 459.631 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-N-tert-butyl-keto-methyl-N'-[(1S,2S)-2-methylcyclohexyl]BLAHdicarboxamide allyl-N-tert-butyl-keto-methyl-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) 3.16 7.41 -16.67 2 7 0 88 443.588 6 ↓

Parameters Provided:

ring.id = 226005
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 = 226005 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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