UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12515632
12515632
4276178
4276178
12515248
12515248

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Popular Name: 3-chloro-6-methyl-N-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzothiophene-2-carboxamide 3-chloro-6-methyl-N-[5-(4-nitrop…

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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) 5.02 6.76 -14.24 1 8 0 114 414.83 4 ↓
Mid Mid (pH 6-8) 5.09 3.91 -46.25 0 8 -1 120 413.822 4 ↓

Analogs

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Popular Name: N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide N-[5-(3-methylsulfanylphenyl)-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) 4.37 6.59 -17.58 1 8 0 114 412.452 5 ↓

Analogs

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Popular Name: 3-chloro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-benzothiophene-2-carboxamide 3-chloro-N-[5-(2-methylsulfonylp…

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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) 3.89 -5.55 -21.5 1 7 0 102 433.898 4 ↓

Analogs

36652600
36652600

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Popular Name: 3-chloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-benzothiophene-2-carboxamide 3-chloro-N-[5-(3-methylsulfonylp…

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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 -7.02 -23.25 1 7 0 102 433.898 4 ↓

Analogs

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Popular Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide N-[5-(3-methylsulfonylphenyl)-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) 2.81 3.13 -24.98 1 10 0 148 444.45 5 ↓

Analogs

39709684
39709684

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Popular Name: 3-chloro-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-benzothiophene-2-carboxamide 3-chloro-N-[5-(4-methylsulfonylp…

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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) 3.50 -7.02 -21.17 1 7 0 102 433.898 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide N-[5-(4-methylsulfonylphenyl)-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) 2.83 3.13 -22.87 1 10 0 148 444.45 5 ↓

Analogs

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Popular Name: 3-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzothiophene-2-carboxamide 3-chloro-N-[5-(2,4-dimethoxyphen…

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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) 4.68 -2.99 -17.65 1 7 0 86 415.858 5 ↓

Parameters Provided:

ring.id = 1585
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 = 1585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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