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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-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(1-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) 0.91 2.23 -14.65 2 5 0 67 261.306 2 ↓

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(1-met…

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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) 1.18 2.99 -13.09 2 5 0 67 275.333 3 ↓

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(1H-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) 0.84 0.91 -14.01 3 5 0 78 247.279 2 ↓

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(1H-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) 1.11 1.68 -12.14 3 5 0 78 261.306 3 ↓

Analogs

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Popular Name: N-(1-ethylpyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(1-ethylpyrazol-4-yl)-5-(3-hyd…

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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) 1.29 3.09 -14.63 2 5 0 67 275.333 3 ↓

Analogs

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Popular Name: N-(1-ethylpyrazol-4-yl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(1-ethylpyrazol-4-yl)-5-(4-hyd…

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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) 1.56 3.87 -12.92 2 5 0 67 289.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3,5-dimethyl-1H-pyrazol-4-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) 1.29 2.11 -13.38 3 5 0 78 275.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(3,5-dimethyl-1H-pyrazol-4-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) 1.56 2.87 -11.81 3 5 0 78 289.36 3 ↓

Analogs

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Popular Name: 4-[(4,5-dibromothiophene-2-carbonyl)amino]-2-ethyl-pyrazole-3-carboxamide 4-[(4,5-dibromothiophene-2-carbo…

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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) 2.21 2.11 -10.81 3 6 0 90 422.102 4 ↓

Analogs

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Popular Name: 4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-ethyl-pyrazole-3-carboxamide 4-[(4,5-dibromothiophene-2-carbo…

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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) 2.21 2.43 -7.76 3 6 0 90 422.102 4 ↓

Analogs

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Popular Name: 4,5-dibromo-N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiophene-2-carboxamide 4,5-dibromo-N-(1-ethyl-3,5-dimet…

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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) 3.59 -1.98 -10.66 1 4 0 46 407.131 3 ↓

Analogs

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Popular Name: 4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide 4,5-dibromo-N-(1,5-dimethylpyraz…

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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) 3.00 -2.1 -11.01 1 4 0 46 379.077 2 ↓

Analogs

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Popular Name: 5-chloro-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide 5-chloro-N-(1-ethylpyrazol-4-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) 2.28 4.71 -10.78 1 4 0 47 255.73 3 ↓

Analogs

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Popular Name: 4-[(3-ethylthiophene-2-carbonyl)amino]-5-methyl-1H-pyrazole-3-carboxamide 4-[(3-ethylthiophene-2-carbonyl)…

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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) 1.16 0.85 -9.36 4 6 0 101 278.337 4 ↓

Analogs

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Popular Name: 2-[4-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic 2-[4-[(3-ethylthiophene-2-carbon…

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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) 1.19 5.63 -53.99 1 6 -1 87 278.313 5 ↓

Analogs

36998428
36998428

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-amino-2-oxo-ethyl)pyrazol-4-yl]-3-isopropyl-thiophene-2-carboxamide N-[1-(2-amino-2-oxo-ethyl)pyrazo…

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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) 0.80 2.28 -22.5 3 6 0 90 292.364 5 ↓

Analogs

37787467
37787467

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Popular Name: 3-ethyl-N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)thiophene-2-carboxamide 3-ethyl-N-(1-isopropyl-3,5-dimet…

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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) 3.13 7.24 -11.3 1 4 0 47 291.42 4 ↓

Analogs

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Popular Name: N-(1-tert-butylpyrazol-4-yl)-4-ethyl-5-methyl-thiophene-2-carboxamide N-(1-tert-butylpyrazol-4-yl)-4-e…

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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) 3.35 7.36 -11.93 1 4 0 47 291.42 4 ↓

Analogs

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Popular Name: 5-bromo-N-(1-tert-butylpyrazol-4-yl)thiophene-2-carboxamide 5-bromo-N-(1-tert-butylpyrazol-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) 3.22 5.96 -9.97 1 4 0 47 328.235 3 ↓

Analogs

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Popular Name: 4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-thiophene-2-carboxamide 4-amino-N-[1-(2-methoxyethyl)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) 0.72 1.86 -11.43 3 6 0 82 280.353 5 ↓
Lo Low (pH 4.5-6) 0.72 1.66 -50.68 4 6 1 84 281.361 5 ↓

Analogs

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Popular Name: 3-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide 3-amino-N-[1-(2-methoxyethyl)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) 0.50 1.18 -11.55 3 6 0 82 266.326 5 ↓
Lo Low (pH 4.5-6) 0.50 1.04 -40.19 4 6 1 84 267.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[1-(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) 0.90 2.13 -14.26 2 6 0 76 305.359 5 ↓

Parameters Provided:

ring.id = 8104
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 = 8104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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