UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-amino-2-pyridyl)-1-(2-cyanophenyl)methanesulfonamide N-(5-amino-2-pyridyl)-1-(2-cyano…

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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) 1.40 3.07 -19.52 3 6 0 112 288.332 3 ↓
Hi High (pH 8-9.5) 1.23 2.63 -54.83 2 6 -1 111 287.324 4 ↓

Analogs

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Popular Name: N-(5-amino-2-pyridyl)-1-(4-cyanophenyl)methanesulfonamide N-(5-amino-2-pyridyl)-1-(4-cyano…

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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) 1.45 3.25 -16.38 3 6 0 112 288.332 3 ↓
Hi High (pH 8-9.5) 1.27 2.8 -46.55 2 6 -1 111 287.324 4 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-N-(6-methyl-2-pyridyl)methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-(6-m…

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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) 1.26 3.6 -53.87 4 5 1 90 292.384 4 ↓
Hi High (pH 8-9.5) 1.08 3.17 -71.7 3 5 0 89 291.376 5 ↓

Parameters Provided:

ring.id = 566143
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 = 566143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=566143&filter.purchasability=annotated

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