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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-ethoxy-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-ethoxy-2-[[4-phenyl-5-(2-thien…

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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) 2.99 10.13 -16.09 1 6 0 69 360.464 7 ↓

Analogs

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Popular Name: 4-(4-dimethylaminophenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(4-dimethylaminophenyl)-5-(2-t…

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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) 3.45 9.69 -52.16 0 4 -1 34 301.42 3 ↓
Mid Mid (pH 6-8) 2.72 9.66 -11.42 1 4 0 37 302.428 3 ↓

Analogs

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Popular Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-ethanamine 2-[[4-(2-methoxyphenyl)-5-(2-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) 3.80 11.51 -44.04 1 5 1 44 361.516 7 ↓
Hi High (pH 8-9.5) 3.80 9.04 -13.84 0 5 0 43 360.508 7 ↓

Analogs

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Popular Name: 3-[(difluoromethyl)sulfanyl]-4-(4-methoxyphenyl)-5-(2-thienyl)-4H-1,2,4-triazole 3-[(difluoromethyl)sulfanyl]-4-(…

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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) 4.17 2.5 -13.58 0 4 0 39 339.392 5 ↓

Analogs

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Popular Name: methyl 4-[3-(methylsulfanyl)-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]phenyl ether methyl 4-[3-(methylsulfanyl)-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) 3.61 1.44 -10.42 0 4 0 39 303.412 4 ↓

Analogs

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Popular Name: 3-[(difluoromethyl)sulfanyl]-4-phenyl-5-(2-thienyl)-4H-1,2,4-triazole 3-[(difluoromethyl)sulfanyl]-4-p…

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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) 4.11 10.14 -14.46 0 3 0 31 309.366 4 ↓

Analogs

4145117
4145117
4357587
4357587
4358275
4358275

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide methyl 4-phenyl-5-(2-thienyl)-4H…

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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) 3.55 9.81 -11.14 0 3 0 31 273.386 3 ↓

Analogs

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Popular Name: 5-(4,5-dibromo-2-thienyl)-4-(2,3-dimethylphenyl)-1,2,4-triazole-3-thiolate 5-(4,5-dibromo-2-thienyl)-4-(2,3…

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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) 6.03 11.97 -44.42 0 3 -1 31 444.197 2 ↓
Mid Mid (pH 6-8) 5.30 12.12 -10.13 1 3 0 34 445.205 2 ↓

Analogs

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Popular Name: 5-(4,5-dibromo-2-thienyl)-4-(o-tolyl)-1,2,4-triazole-3-thiolate 5-(4,5-dibromo-2-thienyl)-4-(o-t…

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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) 5.63 11.28 -44 0 3 -1 31 430.17 2 ↓

Analogs

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Popular Name: 5-(4,5-dibromo-2-thienyl)-4-(m-tolyl)-1,2,4-triazole-3-thiolate 5-(4,5-dibromo-2-thienyl)-4-(m-t…

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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) 5.65 10.96 -44.07 0 3 -1 31 430.17 2 ↓

Analogs

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Popular Name: 5-(4-bromo-5-ethyl-2-thienyl)-4-(o-tolyl)-1,2,4-triazole-3-thiolate 5-(4-bromo-5-ethyl-2-thienyl)-4-…

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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) 5.49 12.13 -48.83 0 3 -1 31 379.328 3 ↓
Mid Mid (pH 6-8) 4.76 12.28 -11.39 1 3 0 34 380.336 3 ↓

Analogs

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Popular Name: BRD-K76391971-001-01-0 BRD-K76391971-001-01-0

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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) 3.88 2.98 -52.68 0 5 -1 70 384.384 6 ↓

Analogs

20591225
20591225

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Popular Name: 4-(4-propylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(4-propylphenyl)-5-(2-thienyl)…

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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) 4.65 11.49 -50.7 0 3 -1 31 300.432 4 ↓
Mid Mid (pH 6-8) 3.93 11.47 -10.61 1 3 0 34 301.44 4 ↓

Analogs

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Popular Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(3-fluoro-4-methoxy-phenyl)-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) 3.71 8.63 -46.76 0 4 -1 40 306.367 3 ↓
Mid Mid (pH 6-8) 2.98 8.62 -12.38 1 4 0 43 307.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(difluoromethoxy)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[4-(difluoromethoxy)phenyl]-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) 3.96 8.9 -51.48 0 4 -1 40 324.357 4 ↓
Mid Mid (pH 6-8) 3.23 8.82 -12.54 1 4 0 43 325.365 4 ↓

Analogs

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Popular Name: 4-[3-(methoxymethyl)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[3-(methoxymethyl)phenyl]-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) 3.49 9.05 -54.52 0 4 -1 40 302.404 4 ↓
Mid Mid (pH 6-8) 2.76 8.97 -13.11 1 4 0 43 303.412 4 ↓

Analogs

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Popular Name: 4-[2-(methoxymethyl)phenyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[2-(methoxymethyl)phenyl]-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) 3.47 9.49 -50.62 0 4 -1 40 302.404 4 ↓
Mid Mid (pH 6-8) 2.74 9.34 -11.44 1 4 0 43 303.412 4 ↓

Analogs

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Popular Name: 4-(4-methoxy-3-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(4-methoxy-3-methyl-phenyl)-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) 3.99 9.3 -50.48 0 4 -1 40 302.404 3 ↓
Mid Mid (pH 6-8) 3.27 9.28 -11.13 1 4 0 43 303.412 3 ↓

Analogs

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Popular Name: 4-(3-ethoxyphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(3-ethoxyphenyl)-5-(2-thienyl)…

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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) 3.97 9.55 -54.46 0 4 -1 40 302.404 4 ↓
Mid Mid (pH 6-8) 3.24 9.47 -12.6 1 4 0 43 303.412 4 ↓

Analogs

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Popular Name: 4-(5-bromo-2-methoxy-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(5-bromo-2-methoxy-phenyl)-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) 4.56 9.45 -53.06 0 4 -1 40 367.273 3 ↓
Lo Low (pH 4.5-6) 3.84 9.26 -12.87 1 4 0 43 368.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluoro-2-methoxy-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-(4-fluoro-2-methoxy-phenyl)-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) 3.71 8.89 -50.29 0 4 -1 40 306.367 3 ↓
Mid Mid (pH 6-8) 2.98 8.72 -11.88 1 4 0 43 307.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]acetamide N-[3-[[4-(2-methoxyphenyl)-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) 3.19 9.32 -21.19 1 6 0 69 388.518 8 ↓

Analogs

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Popular Name: 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thiophen-3-amine 2-(5-methyl-4-phenyl-1,2,4-triaz…

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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) 2.13 7.49 -11.87 2 4 0 57 256.334 2 ↓
Lo Low (pH 4.5-6) 2.13 7.29 -36.02 3 4 1 58 257.342 2 ↓

Parameters Provided:

ring.id = 8974
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 = 8974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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