UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-amino-4-pyridyl)-5-bromo-N-methyl-pyridine-3-sulfonamide N-(3-amino-4-pyridyl)-5-bromo-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) 1.17 1.2 -9.11 2 6 0 89 343.206 3 ↓

Analogs

6858714
6858714
38537123
38537123

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Popular Name: 5-bromo-N-(4-pyridyl)pyridine-3-sulfonamide 5-bromo-N-(4-pyridyl)pyridine-3-…

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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) 1.30 1.49 -36.27 0 5 -1 74 313.156 3 ↓
Mid Mid (pH 6-8) 1.48 2.02 -22.38 1 5 0 75 314.164 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-pyridyl)-N-methyl-pyridine-3-sulfonamide N-(3-amino-4-pyridyl)-N-methyl-p…

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) 0.22 0.6 -11.53 2 6 0 89 264.31 3 ↓

Parameters Provided:

ring.id = 6047
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 = 6047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6047&filter.purchasability=annotated

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