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

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic 5-[[2-(3,5-dimethylpyrazol-1-yl)…

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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) 1.61 5.99 -63.89 1 6 -1 87 292.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic 5-[[2-(3,5-dimethylpyrazol-1-yl)…

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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) 1.23 5.43 -63.44 1 6 -1 87 278.313 4 ↓

Analogs

44451465
44451465
24835589
24835589
673193
673193
7778491
7778491

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Popular Name: 2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic 2-[[2-(4-nitropyrazol-1-yl)acety…

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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) 0.36 5.15 -52.85 1 9 -1 133 295.256 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.08 7.34 -15.68 1 6 0 73 321.402 6 ↓

Analogs

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Popular Name: 4-ethyl-2-[({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)amino]-5-methyl-3-thiophenecarboxamide 4-ethyl-2-[({4-nitro-3,5-dimethy…

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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) 1.12 4.21 -18.65 3 9 0 136 365.415 6 ↓

Analogs

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Popular Name: 2-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide 2-[[2-(4-bromo-5-methyl-3-nitro-…

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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) 1.36 4.31 -22.79 3 9 0 136 416.257 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxamide 2-[({3-nitro-5-methyl-1H-pyrazol…

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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) 0.62 -2.23 -21.31 3 9 0 135 337.361 5 ↓

Analogs

2781517
2781517
2782046
2782046

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N,N,3-trimethyl-5-[[(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]thiophe 4-cyano-N,N,3-trimethyl-5-[[(2S)…

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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) 2.43 6.7 -18.15 1 7 0 91 413.425 5 ↓

Analogs

2782046
2782046
2781516
2781516

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Popular Name: 4-cyano-N,N,3-trimethyl-5-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]thiophe 4-cyano-N,N,3-trimethyl-5-[[(2R)…

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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) 2.43 6.69 -17.57 1 7 0 91 413.425 5 ↓

Analogs

2802532
2802532
2802533
2802533
2738343
2738343

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)prop (2R)-2-[4-bromo-3-(difluoromethy…

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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) 3.82 8.62 -14.82 1 5 0 71 431.306 5 ↓

Analogs

2802532
2802532
2802533
2802533
2738343
2738343

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Popular Name: (2S)-2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)prop (2S)-2-[4-bromo-3-(difluoromethy…

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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) 3.82 8.62 -14.09 1 5 0 71 431.306 5 ↓

Analogs

2782093
2782093

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(4-bromo-3-methyl-pyrazol-1-yl)acetyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxam 5-[[2-(4-bromo-3-methyl-pyrazol-…

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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) 2.42 7.52 -17.09 1 7 0 91 438.351 6 ↓

Analogs

2782521
2782521
2793671
2793671

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Popular Name: 5-[[(2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]-4-cyano-3-methyl-thiop 5-[[(2R)-2-[4-bromo-5-methyl-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) 4.30 9.62 -18.4 1 7 0 97 507.332 7 ↓

Analogs

2793671
2793671
2782520
2782520

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]-4-cyano-3-methyl-thiop 5-[[(2S)-2-[4-bromo-5-methyl-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) 4.30 9.71 -18.37 1 7 0 97 507.332 7 ↓

Analogs

2782561
2782561

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Popular Name: 5-[[(2R)-2-(4-chloro-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic- 5-[[(2R)-2-(4-chloro-5-methyl-py…

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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) 3.03 2.54 -13.72 1 7 0 97 394.884 6 ↓

Analogs

2782560
2782560

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Popular Name: 5-[[(2S)-2-(4-chloro-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic- 5-[[(2S)-2-(4-chloro-5-methyl-py…

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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) 3.03 2.54 -13.83 1 7 0 97 394.884 6 ↓

Analogs

2786238
2786238
6619277
6619277
6902369
6902369
994545
994545

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethyl-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carbox 4,5-dimethyl-2-[[2-[5-methyl-4-n…

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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) 2.58 7.98 -19.99 1 9 0 119 420.369 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide 2-[[(2R)-2-(4-bromo-5-methyl-pyr…

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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) 2.11 4.17 -16.77 3 6 0 90 399.314 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-(4-bromo-5-methyl-pyrazol-1-yl)propanoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide 2-[[(2S)-2-(4-bromo-5-methyl-pyr…

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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) 2.11 4.16 -16.01 3 6 0 90 399.314 5 ↓

Analogs

2782232
2782232
2782233
2782233

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)propionamide (2R)-2-(4-bromo-5-methyl-pyrazol…

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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) 3.04 1.24 -12.33 1 5 0 70 381.299 4 ↓

Analogs

2782232
2782232
2782233
2782233

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)propionamide (2S)-2-(4-bromo-5-methyl-pyrazol…

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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) 3.04 7.89 -12.33 1 5 0 71 381.299 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.31 8.36 -19.07 1 6 0 73 389.399 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide N-(3-cyano-4,5-dimethyl-2-thieny…

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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 6.32 -16.77 1 5 0 71 328.319 4 ↓

Parameters Provided:

ring.id = 117007
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 = 117007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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