UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39965634
39965634
39965805
39965805

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

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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) 3.60 -1.11 -16.27 1 7 0 78 414.512 6 ↓

Analogs

39965671
39965671
39965840
39965840

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

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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) 3.57 -0.87 -15.87 1 7 0 78 414.512 6 ↓

Analogs

39965353
39965353
39965357
39965357
39965361
39965361
39965373
39965373
39965432
39965432

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Popular Name: 2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methyl-phenyl)-aceta 2-[(5-benzo[1,3]dioxol-5-yl-4-me…

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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) 4.24 -0.34 -15.65 1 7 0 78 416.89 5 ↓

Analogs

39757175
39757175
39757176
39757176
39965351
39965351
39965360
39965360
39965361
39965361

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

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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) 4.18 10.17 -13.38 1 7 0 78 410.499 6 ↓

Analogs

39965357
39965357
39965407
39965407
39965436
39965436
39965438
39965438
39965537
39965537

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Popular Name: 2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)-aceta 2-[(5-benzo[1,3]dioxol-5-yl-4-me…

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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 -0.35 -15.31 1 7 0 78 416.89 5 ↓

Analogs

39745565
39745565
39745567
39745567
39752401
39752401
39752402
39752402
39752607
39752607

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

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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) 3.61 -0.48 -14.24 1 8 0 87 412.471 6 ↓

Analogs

39752401
39752401
39752402
39752402
39752607
39752607
39752608
39752608
39757175
39757175

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

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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) 3.61 -0.48 -14.71 1 8 0 87 412.471 6 ↓

Analogs

39965353
39965353
39965357
39965357
39965387
39965387
39965401
39965401
39965407
39965407

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Popular Name: 2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methyl-phenyl)-aceta 2-[(5-benzo[1,3]dioxol-5-yl-4-me…

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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) 4.24 -0.37 -16.9 1 7 0 78 416.89 5 ↓

Analogs

39965353
39965353
39965355
39965355
39965356
39965356
39965357
39965357
39965373
39965373

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

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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) 3.84 -0.91 -17.29 1 7 0 78 402.863 5 ↓

Analogs

39755190
39755190
39755580
39755580
39965352
39965352

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Popular Name: 2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)-aceta 2-[(5-benzo[1,3]dioxol-5-yl-4-me…

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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) 3.73 0.52 -17.79 1 7 0 78 400.435 5 ↓

Analogs

39755190
39755190
39965352
39965352
39965442
39965442
39965445
39965445

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

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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) 3.44 0.76 -14.46 1 7 0 78 404.398 5 ↓

Analogs

39965359
39965359
39965369
39965369
39965371
39965371
39965372
39965372
39965373
39965373

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Popular Name: 2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-acet 2-[(5-benzo[1,3]dioxol-5-yl-4-me…

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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) 3.62 8.14 -14.16 1 8 0 88 412.471 6 ↓

Analogs

39965359
39965359
39965362
39965362
39965394
39965394
39965444
39965444
39965451
39965451

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Popular Name: N-(3-acetylphenyl)-2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(3-acetylphenyl)-2-[(5-benzo[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) 3.06 -0.32 -23.87 1 8 0 95 410.455 6 ↓

Analogs

39755190
39755190
39765960
39765960
39965618
39965618
39965789
39965789

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Popular Name: 2-[(5-benzo[1,3]dioxol-5-yl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)-acetam 2-[(5-benzo[1,3]dioxol-5-yl-4-et…

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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) 4.10 0.77 -16.99 1 7 0 78 414.462 6 ↓

Analogs

39743280
39743280
39743282
39743282
39753737
39753737
39759990
39759990
39759991
39759991

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Popular Name: 2-[(4-allyl-5-benzo[1,3]dioxol-5-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide 2-[(4-allyl-5-benzo[1,3]dioxol-5…

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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) 3.83 -0.12 -15.2 1 7 0 78 394.456 7 ↓

Analogs

39745565
39745565
39745567
39745567
39753737
39753737
39761913
39761913
39761914
39761914

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Popular Name: 2-[(4-allyl-5-benzo[1,3]dioxol-5-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolyl)acetamide 2-[(4-allyl-5-benzo[1,3]dioxol-5…

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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) 4.23 0.45 -15.11 1 7 0 78 408.483 7 ↓

Analogs

39765960
39765960
39965535
39965535
39965613
39965613
39965629
39965629
39965632
39965632

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Popular Name: 2-[(4-allyl-5-benzo[1,3]dioxol-5-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)-acetamide 2-[(4-allyl-5-benzo[1,3]dioxol-5…

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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) 3.95 0.66 -14.72 1 7 0 78 412.446 7 ↓

Analogs

39765960
39765960
39965352
39965352
39965535
39965535
39965594
39965594
39965618
39965618

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Popular Name: 2-[(4-allyl-5-benzo[1,3]dioxol-5-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)-acetamide 2-[(4-allyl-5-benzo[1,3]dioxol-5…

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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) 4.00 0.67 -13.47 1 7 0 78 412.446 7 ↓

Parameters Provided:

ring.id = 248543
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 = 248543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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