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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: N-(1-ethylpyrazol-4-yl)-2-methyl-pyrimidin-4-amine N-(1-ethylpyrazol-4-yl)-2-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) 0.97 5.25 -10.59 1 5 0 56 203.249 3 ↓

Analogs

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Popular Name: 2-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine 2-methyl-N-(1-methylpyrazol-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) 0.59 4.38 -10.75 1 5 0 56 189.222 2 ↓

Analogs

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Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-pyrimidin-4-amine N-[1-(2-methoxyethyl)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) 0.58 4.29 -10.17 1 6 0 65 233.275 5 ↓

Analogs

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Popular Name: 4-methylsulfanyl-6-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile 4-methylsulfanyl-6-[(1,3,5-trime…

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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) 1.57 6.49 -8.96 1 6 0 79 274.353 3 ↓
Lo Low (pH 4.5-6) 1.57 6.61 -32.42 2 6 1 81 275.361 3 ↓

Analogs

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Popular Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)amino]-6-methylsulfanyl-pyrimidine-5-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) 1.95 7.48 -8.69 1 6 0 79 288.38 4 ↓
Lo Low (pH 4.5-6) 1.95 7.61 -31.61 2 6 1 81 289.388 4 ↓

Analogs

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Popular Name: 4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)amino]-6-methylsulfanyl-pyrimidine-5-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) 2.31 8.05 -8.32 1 6 0 79 302.407 4 ↓
Lo Low (pH 4.5-6) 2.31 8.18 -30.28 2 6 1 81 303.415 4 ↓

Analogs

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Popular Name: 4-[(1-methylpyrazol-4-yl)amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[(1-methylpyrazol-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) 1.13 5.93 -9.42 1 6 0 79 246.299 3 ↓

Analogs

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Popular Name: 4-[(1-ethylpyrazol-4-yl)amino]-6-methylsulfanyl-pyrimidine-5-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) 1.50 6.79 -9.2 1 6 0 79 260.326 4 ↓

Analogs

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Popular Name: 4-[(1-isopropylpyrazol-4-yl)amino]-6-methylsulfanyl-pyrimidine-5-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) 1.87 7.31 -8.59 1 6 0 79 274.353 4 ↓

Analogs

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Popular Name: 2-[4-[(2-amino-6-methyl-pyrimidin-4-yl)amino]pyrazol-1-yl]ethanol 2-[4-[(2-amino-6-methyl-pyrimidi…

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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) 0.12 2.38 -33.41 5 7 1 103 235.271 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) 1.19 5.28 -16.36 3 8 0 108 282.691 5 ↓

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) 0.61 5.93 -38.43 4 8 1 109 263.281 5 ↓

Analogs

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Popular Name: 2-[4-[(2-amino-6-chloro-pyrimidin-4-yl)amino]pyrazol-1-yl]ethanol 2-[4-[(2-amino-6-chloro-pyrimidi…

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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) 0.70 1.74 -10.1 4 7 0 102 254.681 4 ↓

Analogs

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Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-pyrimidin-4-amine N-[1-(2-methoxyethyl)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) 0.93 4.98 -9.99 1 6 0 65 233.275 5 ↓

Analogs

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Popular Name: 6-ethyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine 6-ethyl-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) 1.50 5.77 -9.7 1 6 0 65 247.302 6 ↓

Analogs

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Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propyl-pyrimidin-4-amine N-[1-(2-methoxyethyl)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) 2.00 6.55 -9.5 1 6 0 65 261.329 7 ↓

Analogs

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Popular Name: 6-isopropyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine 6-isopropyl-N-[1-(2-methoxyethyl…

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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) 1.99 6.21 -9.63 1 6 0 65 261.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine N-[1-(2-methoxyethyl)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) 0.49 4.36 -9.94 1 6 0 65 219.248 5 ↓

Parameters Provided:

ring.id = 85565
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 85565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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