UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-[allyl-[(5-bromo-2-fluoro-phenyl)methyl]carbamoyl]phenyl]pyridine-3-carboxamide N-[3-[allyl-[(5-bromo-2-fluoro-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) 3.48 10.64 -20.42 1 5 0 62 468.326 7 ↓

Analogs

31586194
31586194
37075491
37075491

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Popular Name: N-[3-(benzyl-methyl-carbamoyl)phenyl]pyridine-3-carboxamide N-[3-(benzyl-methyl-carbamoyl)ph…

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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) 1.93 8.59 -19.46 1 5 0 62 345.402 5 ↓

Analogs

14565271
14565271
31688312
31688312
36995890
36995890
36995891
36995891

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Popular Name: 3-pyridinecarboxamide, N-[3-[[(1-phenylethyl)amino]carbonyl]phenyl]- 3-pyridinecarboxamide, N-[3-[[(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) 2.72 7.7 -19.14 2 5 0 71 345.402 5 ↓

Analogs

31688312
31688312
36995890
36995890
36995891
36995891
14565269
14565269

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Popular Name: 3-pyridinecarboxamide, N-[3-[[(1-phenylethyl)amino]carbonyl]phenyl]- 3-pyridinecarboxamide, N-[3-[[(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) 2.72 7.73 -19.18 2 5 0 71 345.402 5 ↓

Parameters Provided:

ring.id = 113885
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 = 113885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113885&filter.purchasability=annotated

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