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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'-hydroxy-3-(phenyl-pyrazin-2-yl-amino)propanamidine N'-hydroxy-3-(phenyl-pyrazin-2-y…

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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) 1.44 3.68 -10.27 3 6 0 88 257.297 5 ↓

Analogs

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Popular Name: 3-[2-fluoro-5-(trifluoromethyl)anilino]pyrazine-2-carbonitrile 3-[2-fluoro-5-(trifluoromethyl)a…

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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) 3.33 6.42 -8.81 1 4 0 62 282.2 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-fluoro-5-(trifluoromethyl)anilino]pyrazine-2-carbothioamide 3-[2-fluoro-5-(trifluoromethyl)a…

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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) 3.37 5.45 -13.18 3 4 0 64 316.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-amine 6-chloro-N-[2-fluoro-5-(trifluor…

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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) 4.13 6.5 -5.88 1 3 0 38 291.635 3 ↓

Analogs

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Popular Name: 3-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazin-2-amine 3-chloro-N-[2-fluoro-5-(trifluor…

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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) 4.13 6.61 -6.44 1 3 0 38 291.635 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-aminoethoxy)phenyl]-3,6-dimethyl-pyrazin-2-amine N-[3-(2-aminoethoxy)phenyl]-3,6-…

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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) 1.63 3.85 -48.22 4 5 1 75 259.333 5 ↓
Hi High (pH 8-9.5) 1.63 3.41 -8.56 3 5 0 73 258.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-aminoethoxy)phenyl]pyrazin-2-amine N-[3-(2-aminoethoxy)phenyl]pyraz…

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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 2.53 -46.77 4 5 1 75 231.279 5 ↓
Hi High (pH 8-9.5) 1.18 2.09 -9.6 3 5 0 73 230.271 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-aminoethoxy)anilino]pyrazine-2-carbonitrile 3-[3-(2-aminoethoxy)anilino]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) 1.18 2.91 -51.2 4 6 1 98 256.289 5 ↓
Hi High (pH 8-9.5) 1.18 2.47 -10.4 3 6 0 97 255.281 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxamide 3-[3-(2-aminoethoxy)anilino]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) 0.24 0.01 -48.58 6 7 1 118 274.304 6 ↓
Hi High (pH 8-9.5) 0.24 -0.43 -12.74 5 7 0 116 273.296 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(diethylamino)anilino]pyrazine-2-carbonitrile 3-[4-(diethylamino)anilino]pyraz…

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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 7.61 -51.36 2 5 0 66 268.344 5 ↓
Mid Mid (pH 6-8) 3.19 7.46 -8.43 1 5 0 65 267.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(diethylamino)anilino]pyrazine-2-carbothioamide 3-[4-(diethylamino)anilino]pyraz…

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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) 3.24 6.67 -54.14 4 5 0 68 302.427 6 ↓
Mid Mid (pH 6-8) 3.24 6.6 -13.26 3 5 0 67 301.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-(6-chloropyrazin-2-yl)-N1,N1-diethyl-benzene-1,4-diamine N4-(6-chloropyrazin-2-yl)-N1,N1-…

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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) 4.00 7.65 -47.49 2 4 0 42 277.779 5 ↓
Mid Mid (pH 6-8) 4.00 7.53 -6.2 1 4 0 41 276.771 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-(3-chloropyrazin-2-yl)-N1,N1-diethyl-benzene-1,4-diamine N4-(3-chloropyrazin-2-yl)-N1,N1-…

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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) 4.00 7.78 -39.66 2 4 0 42 277.779 5 ↓
Mid Mid (pH 6-8) 4.00 7.68 -6.49 1 4 0 41 276.771 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-carbamoylpyrazin-2-yl)amino]-3-fluoro-benzoic 4-[(3-carbamoylpyrazin-2-yl)amin…

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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) 1.41 2.87 -52.77 3 7 -1 121 275.219 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-cyanopyrazin-2-yl)amino]-3-fluoro-benzoic 4-[(3-cyanopyrazin-2-yl)amino]-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) 2.34 5.97 -49.41 1 6 -1 102 257.204 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(pyrazin-2-ylamino)benzoic 3-fluoro-4-(pyrazin-2-ylamino)be…

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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) 2.35 5.66 -48.1 1 5 -1 78 232.194 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-methylsulfanylphenyl)pyrazin-2-amine 6-chloro-N-(3-methylsulfanylphen…

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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) 3.56 6.29 -8.2 1 3 0 38 251.742 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3,4-dimethoxyphenyl)pyrazin-2-amine 6-chloro-N-(3,4-dimethoxyphenyl)…

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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) 2.80 4.42 -9.13 1 5 0 56 265.7 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2,4-dimethoxyphenyl)pyrazin-2-amine 6-chloro-N-(2,4-dimethoxyphenyl)…

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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 4.08 -6.53 1 5 0 56 265.7 4 ↓

Analogs

43537307
43537307

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Popular Name: 6-chloro-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine 6-chloro-N-[4-(difluoromethoxy)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) 3.76 4.8 -9.56 1 4 0 47 271.654 4 ↓

Analogs

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Popular Name: 6-chloro-N-(3-isopropylphenyl)pyrazin-2-amine 6-chloro-N-(3-isopropylphenyl)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) 4.64 7.18 -5.81 1 3 0 38 247.729 3 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-N-pyrazin-2-yl-propane-1,3-diamine N-(3-methoxyphenyl)-N-pyrazin-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) 1.26 3.4 -51.16 3 5 1 66 259.333 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-N-pyrazin-2-yl-propane-1,3-diamine N-(2-methoxyphenyl)-N-pyrazin-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) 1.24 4.49 -45.17 3 5 1 66 259.333 6 ↓

Analogs

44882535
44882535

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Popular Name: 6-Chloro-N-phenyl-2-pyrazinamine 6-Chloro-N-phenyl-2-pyrazinamine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 7000 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 7000 0.52 Binding ≤ 10μM

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) 3.15 5.22 -5.89 1 3 0 38 205.648 2 ↓

Parameters Provided:

ring.id = 46701
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 = 46701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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