UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-[3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-(1,3,4-thiadiazol-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) 2.88 7.19 -55.18 0 5 -1 75 307.376 7 ↓

Analogs

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Popular Name: (E)-3-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethoxy]phenyl]prop-2-enoic (E)-3-[4-[2-(1,3,4-thiadiazol-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) 2.90 7.19 -53.78 0 5 -1 75 307.376 7 ↓

Analogs

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Popular Name: (E)-3-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-[(5-methyl-1,3,4-thi…

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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) 2.60 7.93 -55.29 0 5 -1 75 321.403 7 ↓

Analogs

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Popular Name: (E)-3-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]phenyl]prop-2-enoic (E)-3-[4-[2-[(5-methyl-1,3,4-thi…

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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) 2.62 7.94 -54.52 0 5 -1 75 321.403 7 ↓

Analogs

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Popular Name: 2-[[5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-(2-phenoxyethylsulfanyl)-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) 2.39 -4.01 -11.92 2 5 0 78 327.456 8 ↓

Analogs

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Popular Name: 1-[2-[2-[(5-methylamino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]phenyl]ethanone 1-[2-[2-[(5-methylamino-1,3,4-th…

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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) 2.77 7.05 -16.95 1 5 0 64 309.416 7 ↓

Analogs

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Popular Name: 2-[[5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[2-(2,4-dichlorophenoxy)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) 3.67 4.34 -12.84 2 5 0 78 396.346 8 ↓

Analogs

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Popular Name: N-[(1S)-2,2,2-trichloro-1-[[5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamid N-[(1S)-2,2,2-trichloro-1-[[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) 4.62 7.62 -12.2 1 5 0 64 458.845 9 ↓

Analogs

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Popular Name: N-[(1R)-2,2,2-trichloro-1-[[5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamid N-[(1R)-2,2,2-trichloro-1-[[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) 4.62 7.68 -11.96 1 5 0 64 458.845 9 ↓

Analogs

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Popular Name: N-[(1S)-2,2,2-trichloro-1-[[5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethy N-[(1S)-2,2,2-trichloro-1-[[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) 5.07 8.32 -12.09 1 5 0 64 472.872 9 ↓

Analogs

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Popular Name: N-[(1R)-2,2,2-trichloro-1-[[5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethy N-[(1R)-2,2,2-trichloro-1-[[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) 5.07 8.38 -11.88 1 5 0 64 472.872 9 ↓

Analogs

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Popular Name: 5-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine 5-[2-(2,6-dimethylphenoxy)ethyls…

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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) 3.70 6.71 -9.29 1 5 0 56 339.486 9 ↓

Analogs

41770779
41770779
47438691
47438691
47821332
47821332
47822852
47822852
47822950
47822950

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Popular Name: 3-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethoxy]aniline 3-[2-(1,3,4-thiadiazol-2-ylsulfa…

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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) 1.99 3.21 -9.49 2 4 0 61 253.352 5 ↓

Analogs

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Popular Name: 5-[2-(4-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[2-(4-nitrophenoxy)ethylsulfan…

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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) 2.50 5.12 -13.32 2 7 0 107 298.349 6 ↓

Analogs

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Popular Name: 2-methylsulfanyl-5-[2-(4-nitrophenoxy)ethylsulfanyl]-1,3,4-thiadiazole 2-methylsulfanyl-5-[2-(4-nitroph…

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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 7.02 -11.8 0 6 0 81 329.428 7 ↓

Analogs

47821260
47821260

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Popular Name: 2-[2-(2-chlorophenoxy)ethylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole 2-[2-(2-chlorophenoxy)ethylsulfa…

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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) 4.66 7.74 -9.19 0 3 0 35 332.903 7 ↓

Analogs

47821264
47821264
39752831
39752831

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Popular Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole 2-[2-(4-chlorophenoxy)ethylsulfa…

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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) 4.71 7.7 -7.47 0 3 0 35 332.903 7 ↓

Analogs

27233767
27233767
27532467
27532467
27233763
27233763

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Popular Name: 2-ethylsulfanyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazole 2-ethylsulfanyl-5-[2-(4-methylph…

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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) 4.48 7.86 -7.66 0 3 0 35 312.485 7 ↓

Analogs

47821268
47821268

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Popular Name: 2-ethylsulfanyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazole 2-ethylsulfanyl-5-[2-(3-methylph…

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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) 4.46 7.86 -7.81 0 3 0 35 312.485 7 ↓

Analogs

47821272
47821272

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Popular Name: 2-ethylsulfanyl-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazole 2-ethylsulfanyl-5-[2-(2-methylph…

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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) 4.43 7.93 -7.65 0 3 0 35 312.485 7 ↓

Analogs

47821276
47821276

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Popular Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole 2-[2-(3-chlorophenoxy)ethylsulfa…

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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 7.7 -8.26 0 3 0 35 332.903 7 ↓

Analogs

6241377
6241377
27532465
27532465
36672171
36672171
37114631
37114631

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Popular Name: 2-ethylsulfanyl-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazole 2-ethylsulfanyl-5-(2-phenoxyethy…

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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) 4.03 7.18 -7.69 0 3 0 35 298.458 7 ↓

Analogs

10798665
10798665
36821140
36821140

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Popular Name: 4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzonitrile 4-[2-[(5-ethylsulfanyl-1,3,4-thi…

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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) 3.79 7.59 -10.52 0 4 0 59 323.468 7 ↓

Parameters Provided:

ring.id = 2086
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 = 2086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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