UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32112756
32112756

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-N-methyl-pyridine-2-carboxamide N-[2-(4-chlorophenoxy)ethyl]-N-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) 2.57 7.84 -8.6 0 4 0 42 290.75 5 ↓

Analogs

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Popular Name: N-[2-(4-ethylphenoxy)ethyl]-N,3-dimethyl-pyridine-2-carboxamide N-[2-(4-ethylphenoxy)ethyl]-N,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) 3.59 9.23 -14.63 0 4 0 42 298.386 6 ↓

Analogs

42894543
42894543

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Popular Name: N-[2-(3,5-dimethylphenoxy)ethyl]pyridine-2-carboxamide N-[2-(3,5-dimethylphenoxy)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) 2.47 5.87 -9.9 1 4 0 51 270.332 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.94 6.03 -14.64 1 6 0 78 314.341 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.94 6.03 -14.63 1 6 0 78 314.341 7 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-phenoxy-ethyl]pyridine-2-carboxamide N-[(1S)-1-methyl-2-phenoxy-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) 1.97 5.43 -8.68 1 4 0 51 256.305 5 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-phenoxy-ethyl]pyridine-2-carboxamide N-[(1R)-1-methyl-2-phenoxy-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) 1.97 5.43 -8.69 1 4 0 51 256.305 5 ↓

Analogs

32206662
32206662

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Popular Name: N-[2-(3-bromophenoxy)ethyl]pyridine-2-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) 2.43 5.17 -10.21 1 4 0 51 321.174 5 ↓

Analogs

32109090
32109090
32109103
32109103

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Popular Name: N-[2-(2-methylphenoxy)ethyl]pyridine-2-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) 2.04 5.29 -9.7 1 4 0 51 256.305 5 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide N-[(1R)-1-methyl-2-(4-methylphen…

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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) 2.42 6.11 -8.69 1 4 0 51 270.332 5 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide N-[(1S)-1-methyl-2-(4-methylphen…

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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) 2.42 6.11 -8.69 1 4 0 51 270.332 5 ↓

Parameters Provided:

ring.id = 110275
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 = 110275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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