UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39757416
39757416

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Popular Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl N-(2,2-difluoro-1,3-benzodioxol-…

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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) 4.22 9.02 -12.89 1 8 0 88 462.478 8 ↓

Analogs

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Popular Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2,2-difluoro-1,3-benzodioxol-…

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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) 4.62 9.93 -17.71 1 7 0 78 432.452 6 ↓

Analogs

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Popular Name: 2-[3-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanyl-5-(4-chlorophenyl)-1,2,4-triazol 2-[3-[2-[(6-chloro-1,3-benzodiox…

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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) 3.72 9.28 -50.71 1 9 -1 118 480.309 7 ↓

Analogs

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Popular Name: 2-[3-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanyl-5-(p-tolyl)-1,2,4-triazol-4-yl]a 2-[3-[2-[(6-chloro-1,3-benzodiox…

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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) 3.49 9.43 -54.56 1 9 -1 118 459.891 7 ↓

Analogs

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Popular Name: 3-[3-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanyl-5-(4-fluorophenyl)-1,2,4-triazol 3-[3-[2-[(6-chloro-1,3-benzodiox…

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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) 3.47 9.26 -49.32 1 9 -1 118 477.881 8 ↓

Analogs

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Popular Name: 3-[3-[2-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanyl-5-(4-methoxyphenyl)-1,2,4-triazo 3-[3-[2-[(6-chloro-1,3-benzodiox…

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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) 3.37 8.51 -52.68 1 10 -1 128 489.917 9 ↓

Analogs

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Popular Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide 2-[[4-amino-5-(4-tert-butylpheny…

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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) 4.28 -2.73 -16.92 3 8 0 104 425.514 6 ↓

Analogs

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide N-benzo[1,3]dioxol-5-yl-2-[[5-(2…

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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) 3.56 -0.35 -19.52 1 8 0 87 412.471 6 ↓

Analogs

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide N-benzo[1,3]dioxol-5-yl-2-[[5-(2…

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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) 3.56 -0.37 -16.89 1 8 0 87 412.471 6 ↓

Analogs

6088977
6088977
39965372
39965372
39965447
39965447

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Popular Name: N-benzo[1,3]dioxol-5-yl-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-benzo[1,3]dioxol-5-yl-2-[[5-(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) 3.22 -0.75 -17.68 1 8 0 87 398.444 6 ↓

Parameters Provided:

ring.id = 106267
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 = 106267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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