UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-carboxamide N-cyclopropyl-N-[[(3S)-tetrahydr…

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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) 0.07 2.97 -9.45 1 5 0 58 235.287 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-carboxamide N-cyclopropyl-N-[[(3R)-tetrahydr…

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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) 0.07 3.29 -10.44 1 5 0 58 235.287 4 ↓

Analogs

44941265
44941265
44941268
44941268
36166697
36166697
36228099
36228099
36228098
36228098

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Popular Name: N-cyclopropyl-3,5-dimethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-carboxamide N-cyclopropyl-3,5-dimethyl-N-[[(…

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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) 0.51 4.47 -9.41 1 5 0 58 263.341 4 ↓

Analogs

44941265
44941265
44941268
44941268
36166697
36166697
36228099
36228099
36228098
36228098

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3,5-dimethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]-1H-pyrazole-4-carboxamide N-cyclopropyl-3,5-dimethyl-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) 0.51 3.61 -10.87 1 5 0 58 263.341 4 ↓

Parameters Provided:

ring.id = 583500
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 = 583500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=583500&filter.purchasability=annotated

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