UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37822975
37822975
37822976
37822976
37822977
37822977
37822978
37822978

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Popular Name: (2S)-1-(cyclohexanecarbonyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propyl-pyrrolidine-2-carboxamide (2S)-1-(cyclohexanecarbonyl)-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) 2.13 10.43 -36.27 1 6 1 60 361.51 6 ↓
Mid Mid (pH 6-8) 2.13 10.14 -13.85 0 6 0 58 360.502 6 ↓

Analogs

37822975
37822975
37822976
37822976
37822977
37822977
37822978
37822978

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclohexanecarbonyl)-N-[(1-methylimidazol-2-yl)methyl]-N-propyl-pyrrolidine-2-carboxamide (2R)-1-(cyclohexanecarbonyl)-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) 2.13 10.9 -47.47 1 6 1 60 361.51 6 ↓
Mid Mid (pH 6-8) 2.13 10.07 -14.32 0 6 0 58 360.502 6 ↓

Parameters Provided:

ring.id = 396453
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 = 396453 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=396453&filter.purchasability=annotated

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