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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: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1-benzyl-3,5-dimethyl-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) 4.26 9.04 -14.36 1 6 0 79 354.417 4 ↓

Analogs

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Popular Name: 4-[(1-benzylpyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1-benzylpyrazol-4-yl)amino]c…

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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 8.49 -13.34 1 6 0 79 326.363 4 ↓

Analogs

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Popular Name: 4-[[1-(o-tolylmethyl)pyrazol-4-yl]amino]cinnoline-3-carbonitrile 4-[[1-(o-tolylmethyl)pyrazol-4-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) 4.22 9.15 -13.08 1 6 0 79 340.39 4 ↓

Analogs

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Popular Name: 4-[[1-(m-tolylmethyl)pyrazol-4-yl]amino]cinnoline-3-carbonitrile 4-[[1-(m-tolylmethyl)pyrazol-4-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) 4.24 9.16 -13.35 1 6 0 79 340.39 4 ↓

Analogs

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Popular Name: 4-[[1-(p-tolylmethyl)pyrazol-4-yl]amino]cinnoline-3-carbonitrile 4-[[1-(p-tolylmethyl)pyrazol-4-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) 4.26 9.17 -13.38 1 6 0 79 340.39 4 ↓

Analogs

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Popular Name: 4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]cinnoline-3-carbonitrile 4-[[1-[(2-fluorophenyl)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) 3.93 8.52 -15.16 1 6 0 79 344.353 4 ↓

Analogs

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Popular Name: 4-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]amino]cinnoline-3-carbonitrile 4-[[1-[(3-fluorophenyl)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) 3.96 8.57 -14.87 1 6 0 79 344.353 4 ↓

Analogs

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Popular Name: 4-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]cinnoline-3-carbonitrile 4-[[1-[(4-fluorophenyl)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) 3.98 8.57 -14.5 1 6 0 79 344.353 4 ↓

Analogs

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Popular Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[(1-benzyl-3,5-dimethyl-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) 4.68 9.67 -13.39 1 6 0 79 368.444 4 ↓

Analogs

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Popular Name: 4-[(1-benzylpyrazol-4-yl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[(1-benzylpyrazol-4-yl)amino]-…

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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) 4.24 9.14 -12.36 1 6 0 79 340.39 4 ↓

Analogs

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Popular Name: 6-methyl-4-[[1-(o-tolylmethyl)pyrazol-4-yl]amino]cinnoline-3-carbonitrile 6-methyl-4-[[1-(o-tolylmethyl)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 9.81 -12.15 1 6 0 79 354.417 4 ↓

Analogs

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Popular Name: 6-methyl-4-[[1-(m-tolylmethyl)pyrazol-4-yl]amino]cinnoline-3-carbonitrile 6-methyl-4-[[1-(m-tolylmethyl)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) 4.67 9.81 -12.68 1 6 0 79 354.417 4 ↓

Analogs

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Popular Name: 6-methyl-4-[[1-(p-tolylmethyl)pyrazol-4-yl]amino]cinnoline-3-carbonitrile 6-methyl-4-[[1-(p-tolylmethyl)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) 4.69 9.82 -12.74 1 6 0 79 354.417 4 ↓

Analogs

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Popular Name: 4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-6-methyl-cinnoline-3-carbonitrile 4-[[1-[(2-fluorophenyl)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) 4.36 9.17 -14.17 1 6 0 79 358.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]amino]-6-methyl-cinnoline-3-carbonitrile 4-[[1-[(3-fluorophenyl)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) 4.38 9.21 -14.18 1 6 0 79 358.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]amino]-6-methyl-cinnoline-3-carbonitrile 4-[[1-[(4-fluorophenyl)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) 4.40 9.21 -13.79 1 6 0 79 358.38 4 ↓

Parameters Provided:

ring.id = 544387
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 = 544387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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