UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-amino-N-cyclopropyl-1-methyl-N-(4-pyridylmethyl)pyrazole-4-sulfonamide 3-amino-N-cyclopropyl-1-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) -0.29 2.66 -14.32 2 7 0 94 307.379 5 ↓
Lo Low (pH 4.5-6) -0.29 3.12 -42.85 3 7 1 95 308.387 5 ↓

Analogs

37840056
37840056

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Popular Name: N-cyclopropyl-N-(4-pyridylmethyl)-1H-pyrazole-4-sulfonamide N-cyclopropyl-N-(4-pyridylmethyl…

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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) 0.04 1.61 -12.25 1 6 0 79 278.337 5 ↓
Lo Low (pH 4.5-6) 0.04 2.07 -47.65 2 6 1 80 279.345 5 ↓

Analogs

40105611
40105611
8720739
8720739
35207743
35207743
35207742
35207742
35207741
35207741

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Popular Name: N-cyclopropyl-5-methyl-N-(4-pyridylmethyl)-1H-pyrazole-4-sulfonamide N-cyclopropyl-5-methyl-N-(4-pyri…

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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) 0.26 2.65 -14.15 1 6 0 79 292.364 5 ↓
Lo Low (pH 4.5-6) 0.26 3.25 -41.56 2 6 1 80 293.372 5 ↓

Parameters Provided:

ring.id = 14826
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 = 14826 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14826&filter.purchasability=annotated

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