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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-[(1,3,5-trimethylpyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1,3,5-trimethylpyrazol-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) 2.66 5.17 -14 1 6 0 79 278.319 2 ↓
Lo Low (pH 4.5-6) 2.66 5.3 -34.76 2 6 1 81 279.327 2 ↓

Analogs

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Popular Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1-ethyl-3,5-dimethyl-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 6.09 -11.82 1 6 0 79 292.346 3 ↓
Lo Low (pH 4.5-6) 3.04 6.22 -34.73 2 6 1 81 293.354 3 ↓

Analogs

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Popular Name: 4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1-isopropyl-3,5-dimethyl-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) 3.40 6.73 -13.67 1 6 0 79 306.373 3 ↓
Lo Low (pH 4.5-6) 3.40 6.87 -32.93 2 6 1 81 307.381 3 ↓

Analogs

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Popular Name: 4-[(1-methylpyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1-methylpyrazol-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) 2.22 4.64 -12.39 1 6 0 79 250.265 2 ↓

Analogs

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

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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) 2.60 5.5 -12.38 1 6 0 79 264.292 3 ↓

Analogs

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Popular Name: 4-[(1-isopropylpyrazol-4-yl)amino]cinnoline-3-carbonitrile 4-[(1-isopropylpyrazol-4-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) 2.96 6.02 -11.72 1 6 0 79 278.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)amino]cinnoline-3-carbonitrile 6-methyl-4-[(1,3,5-trimethylpyra…

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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) 3.09 5.97 -13.02 1 6 0 79 292.346 2 ↓
Lo Low (pH 4.5-6) 3.09 6.09 -33.68 2 6 1 81 293.354 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[(1-ethyl-3,5-dimethyl-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) 3.47 6.74 -11.03 1 6 0 79 306.373 3 ↓
Lo Low (pH 4.5-6) 3.47 6.87 -33.73 2 6 1 81 307.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[(1-isopropyl-3,5-dimethyl-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) 3.83 7.5 -12.74 1 6 0 79 320.4 3 ↓
Lo Low (pH 4.5-6) 3.83 7.63 -31.8 2 6 1 81 321.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-4-[(1-methylpyrazol-4-yl)amino]cinnoline-3-carbonitrile 6-methyl-4-[(1-methylpyrazol-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) 2.65 5.29 -11.52 1 6 0 79 264.292 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-ethylpyrazol-4-yl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[(1-ethylpyrazol-4-yl)amino]-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) 3.02 6.15 -11.77 1 6 0 79 278.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-isopropylpyrazol-4-yl)amino]-6-methyl-cinnoline-3-carbonitrile 4-[(1-isopropylpyrazol-4-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) 3.38 6.67 -10.78 1 6 0 79 292.346 3 ↓

Parameters Provided:

ring.id = 544368
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 = 544368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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