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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: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-5-methyl-pyrazine-2-carboxamide N-[4-(2-amino-2-oxo-ethyl)thiazo…

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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) -0.21 -0.57 -19.15 3 7 0 111 277.309 4 ↓
Hi High (pH 8-9.5) -0.14 -1.75 -57.83 2 7 -1 117 276.301 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.93 3.07 -9.21 1 7 0 94 292.32 4 ↓
Hi High (pH 8-9.5) 1.00 1.54 -42.12 0 7 -1 100 291.312 4 ↓

Analogs

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Popular Name: N,5-dimethyl-N-thiazol-2-yl-pyrazine-2-carboxamide N,5-dimethyl-N-thiazol-2-yl-pyra…

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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) 0.88 4.28 -14.46 0 5 0 59 234.284 2 ↓

Analogs

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Popular Name: N-[4-[2-(ethylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(ethylamino)-2-oxo-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) 0.32 1.08 -17.47 2 7 0 97 291.336 5 ↓
Hi High (pH 8-9.5) 0.38 -0.46 -56.96 1 7 -1 103 290.328 5 ↓

Analogs

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Popular Name: N-[4-[2-oxo-2-(propylamino)ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-oxo-2-(propylamino)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) 0.82 1.84 -17.36 2 7 0 97 305.363 6 ↓
Hi High (pH 8-9.5) 0.89 0.31 -56.91 1 7 -1 103 304.355 6 ↓

Analogs

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Popular Name: N-[4-[2-(butylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(butylamino)-2-oxo-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) 1.38 2.61 -17.24 2 7 0 97 319.39 7 ↓
Hi High (pH 8-9.5) 1.45 1.08 -56.76 1 7 -1 103 318.382 7 ↓

Analogs

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Popular Name: N-[4-[2-(isopropylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(isopropylamino)-2-oxo-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) 0.61 1.89 -17.38 2 7 0 97 305.363 5 ↓
Hi High (pH 8-9.5) 0.68 0.35 -57.31 1 7 -1 103 304.355 5 ↓

Analogs

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Popular Name: N-[4-[2-(isobutylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(isobutylamino)-2-oxo-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) 1.06 2.59 -17.05 2 7 0 97 319.39 6 ↓
Hi High (pH 8-9.5) 1.13 1.05 -56.63 1 7 -1 103 318.382 6 ↓

Analogs

38740024
38740024

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Popular Name: N-[4-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-[[(1R)-1-methylpropyl]am…

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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) 1.15 2.85 -17.14 2 7 0 97 319.39 6 ↓
Hi High (pH 8-9.5) 1.22 1.32 -57.26 1 7 -1 103 318.382 6 ↓

Analogs

38740023
38740023

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Popular Name: N-[4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-[[(1S)-1-methylpropyl]am…

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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) 1.15 2.85 -17.18 2 7 0 97 319.39 6 ↓
Hi High (pH 8-9.5) 1.22 1.32 -57.24 1 7 -1 103 318.382 6 ↓

Analogs

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Popular Name: N-[4-[2-(isopentylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(isopentylamino)-2-oxo-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) 1.59 3.12 -17.21 2 7 0 97 333.417 7 ↓
Hi High (pH 8-9.5) 1.66 1.59 -56.78 1 7 -1 103 332.409 7 ↓

Analogs

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Popular Name: N-[4-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(3-isopropoxypropylamino…

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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) 0.93 2.61 -17.65 2 8 0 106 363.443 9 ↓
Hi High (pH 8-9.5) 1.00 1.08 -56.67 1 8 -1 112 362.435 9 ↓

Analogs

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Popular Name: N-[4-[2-oxo-2-(pentylamino)ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-oxo-2-(pentylamino)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) 1.88 3.39 -17.23 2 7 0 97 333.417 8 ↓
Hi High (pH 8-9.5) 1.95 1.86 -56.7 1 7 -1 103 332.409 8 ↓

Analogs

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Popular Name: N-[4-[2-(allylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(allylamino)-2-oxo-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) 0.58 1.63 -17.07 2 7 0 97 303.347 6 ↓
Hi High (pH 8-9.5) 0.65 0.09 -56.52 1 7 -1 103 302.339 6 ↓

Analogs

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Popular Name: N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(2-methoxyethylamino)-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) -0.08 0.15 -17.5 2 8 0 106 321.362 7 ↓
Hi High (pH 8-9.5) -0.01 -1.39 -56.97 1 8 -1 112 320.354 7 ↓

Analogs

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Popular Name: N-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-(3-methoxypropylamino)-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) 0.19 0.9 -17.82 2 8 0 106 335.389 8 ↓
Hi High (pH 8-9.5) 0.26 -0.63 -56.78 1 8 -1 112 334.381 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]pyrazine-2-carboxamide N-[4-(2-amino-2-oxo-ethyl)thiazo…

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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) -0.43 -1.24 -17.76 3 7 0 111 263.282 4 ↓
Hi High (pH 8-9.5) -0.37 -2.8 -56.78 2 7 -1 117 262.274 4 ↓

Analogs

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Popular Name: N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiazol-2-yl]pyrazine-2-carboxamide N-[4-[2-oxo-2-(2,2,2-trifluoroet…

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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) 0.87 1.53 -16.03 2 7 0 97 345.306 6 ↓
Hi High (pH 8-9.5) 0.93 -0.01 -53.44 1 7 -1 103 344.298 6 ↓

Parameters Provided:

ring.id = 108581
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 = 108581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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