UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32102398
32102398

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Popular Name: N-[2-(2-fluorophenoxy)ethyl]pyridine-4-carboxamide N-[2-(2-fluorophenoxy)ethyl]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) 1.64 4.55 -13.32 1 4 0 51 260.268 5 ↓

Analogs

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Popular Name: 3-chloro-N-ethyl-N-[2-(4-fluorophenoxy)ethyl]pyridine-4-carboxamide 3-chloro-N-ethyl-N-[2-(4-fluorop…

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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) 2.66 8.5 -12.56 0 4 0 42 322.767 6 ↓

Analogs

37978855
37978855
37978856
37978856

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Popular Name: 2-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-pyridine-4-carboxamide 2-chloro-N-[2-(2,5-dimethylpheno…

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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) 3.14 8.83 -13.9 0 4 0 42 318.804 5 ↓

Analogs

37978855
37978855
37978857
37978857
37978859
37978859

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Popular Name: 2-chloro-N-[2-(2-methylphenoxy)ethyl]pyridine-4-carboxamide 2-chloro-N-[2-(2-methylphenoxy)e…

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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) 2.94 5.67 -10.69 1 4 0 51 290.75 5 ↓

Analogs

32100256
32100256
32109092
32109092
32109099
32109099

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Popular Name: N-[2-(2-methylphenoxy)ethyl]pyridine-4-carboxamide N-[2-(2-methylphenoxy)ethyl]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) 1.92 5.25 -9.65 1 4 0 51 256.305 5 ↓

Analogs

37978857
37978857
37978859
37978859
37979652
37979652

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Popular Name: 2-chloro-N-[(1S)-1-methyl-2-phenoxy-ethyl]pyridine-4-carboxamide 2-chloro-N-[(1S)-1-methyl-2-phen…

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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) 2.87 5.8 -9.48 1 4 0 51 290.75 5 ↓

Analogs

37978857
37978857
37978859
37978859
37979652
37979652

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Popular Name: 2-chloro-N-[(1R)-1-methyl-2-phenoxy-ethyl]pyridine-4-carboxamide 2-chloro-N-[(1R)-1-methyl-2-phen…

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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) 2.87 5.8 -9.44 1 4 0 51 290.75 5 ↓

Analogs

37978800
37978800

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Popular Name: N-[2-(3-bromophenoxy)ethyl]-2-chloro-pyridine-4-carboxamide N-[2-(3-bromophenoxy)ethyl]-2-ch…

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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) 3.33 5.54 -10.69 1 4 0 51 355.619 5 ↓

Analogs

32206669
32206669

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Popular Name: N-[2-(3-bromophenoxy)ethyl]pyridine-4-carboxamide N-[2-(3-bromophenoxy)ethyl]pyrid…

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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) 2.31 5.12 -9.55 1 4 0 51 321.174 5 ↓

Analogs

32206676
32206676

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Popular Name: N-[2-(4-bromophenoxy)ethyl]pyridine-4-carboxamide N-[2-(4-bromophenoxy)ethyl]pyrid…

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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) 2.33 5.12 -9.97 1 4 0 51 321.174 5 ↓

Parameters Provided:

ring.id = 35921
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 = 35921 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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