UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37506603
37506603
37506602
37506602
36829000
36829000
36828999
36828999
36828986
36828986

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Popular Name: N-cyclopropyl-N-isobutyl-6-oxo-1H-pyridine-3-sulfonamide N-cyclopropyl-N-isobutyl-6-oxo-1…

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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) 1.33 3.2 -12.19 1 5 0 70 270.354 5 ↓

Analogs

37506606
37506606
37506605
37506605
36828988
36828988
36828989
36828989
36828843
36828843

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Popular Name: N-cyclopropyl-N-isopentyl-6-oxo-1H-pyridine-3-sulfonamide N-cyclopropyl-N-isopentyl-6-oxo-…

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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) 1.86 3.62 -12.55 1 5 0 70 284.381 6 ↓

Analogs

36828835
36828835
37506605
37506605
37506606
37506606
36829073
36829073
36829072
36829072

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Popular Name: N-butyl-N-cyclopropyl-6-oxo-1H-pyridine-3-sulfonamide N-butyl-N-cyclopropyl-6-oxo-1H-p…

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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) 1.65 3.15 -12.61 1 5 0 70 270.354 6 ↓

Analogs

36829236
36829236
36829235
36829235
36829087
36829087

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Popular Name: N-cyclopropyl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide N-cyclopropyl-N-(2-methoxyethyl)…

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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) 0.20 1.04 -13.04 1 6 0 79 272.326 6 ↓
Hi High (pH 8-9.5) 0.65 -0.99 -45.95 0 6 -1 83 271.318 6 ↓

Analogs

36828733
36828733
36829235
36829235
36829236
36829236
36829087
36829087
37506594
37506594

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Popular Name: ethyl ethyl

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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) 0.45 2.48 -13.96 1 7 0 97 300.336 7 ↓
Hi High (pH 8-9.5) 0.91 0.61 -51.95 0 7 -1 100 299.328 7 ↓

Parameters Provided:

ring.id = 582530
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 = 582530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582530&filter.purchasability=annotated

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