UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36166494
36166494
36166492
36166492
36164144
36164144
36164141
36164141

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-1-(1H-pyrazol…

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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) -0.92 2.1 -17.07 2 6 0 78 248.286 3 ↓

Analogs

36166494
36166494
36166492
36166492
36164144
36164144
36164141
36164141

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-1-(1H-pyrazol…

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) -0.92 2.28 -17.74 2 6 0 78 248.286 3 ↓

Analogs

36166521
36166521
36166518
36166518
36164155
36164155
36164152
36164152

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-1-(3,5-dimeth…

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) -0.48 4.43 -18.79 2 6 0 78 276.34 3 ↓

Analogs

36166521
36166521
36166518
36166518
36164155
36164155
36164152
36164152

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-1-(3,5-dimeth…

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) -0.48 4.7 -17.21 2 6 0 78 276.34 3 ↓

Parameters Provided:

ring.id = 582988
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 = 582988 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582988&filter.purchasability=annotated

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