UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16601260
16601260
32741200
32741200
2630800
2630800

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Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)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) 2.48 5.44 -16.72 1 5 0 60 316.382 5 ↓

Analogs

40496186
40496186

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Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethoxy-pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)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) 2.33 2.81 -17.51 1 7 0 79 330.34 6 ↓

Analogs

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Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-pentylsulfanyl-pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)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) 4.42 8.67 -16.48 1 5 0 60 372.49 9 ↓

Analogs

32789426
32789426
21663543
21663543
33115220
33115220
4381344
4381344

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Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propylsulfanyl-pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)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) 3.41 7.11 -12.85 1 5 0 60 344.436 7 ↓

Analogs

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Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethylsulfanyl-pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)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) 2.85 6.32 -16.75 1 5 0 60 330.409 6 ↓

Analogs

4381344
4381344

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-propylsulfanyl-pyridine-3-carboxamide N-[2-(1,3-benzodioxol-5-yl)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) 3.35 7.11 -16.66 1 5 0 60 344.436 7 ↓

Parameters Provided:

ring.id = 54254
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 = 54254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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