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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,N,5-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,N,5-trimethyl-2-[(4-methylpipe…

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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) 0.31 8.27 -41.26 1 7 1 54 290.395 3 ↓
Hi High (pH 8-9.5) 0.31 5.9 -13.9 0 7 0 53 289.387 3 ↓

Analogs

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Popular Name: N,N,5-trimethyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,N,5-trimethyl-2-[(4-propylpipe…

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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 9.65 -42.25 1 7 1 54 318.449 5 ↓
Hi High (pH 8-9.5) 1.19 7.38 -13.26 0 7 0 53 317.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethylpiperazin-1-yl)methyl]-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 2-[(4-ethylpiperazin-1-yl)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) 0.68 8.89 -41.6 1 7 1 54 304.422 4 ↓
Hi High (pH 8-9.5) 0.68 6.62 -13.41 0 7 0 53 303.414 4 ↓

Analogs

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Popular Name: 2-[(4-butylpiperazin-1-yl)methyl]-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 2-[(4-butylpiperazin-1-yl)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) 1.75 10.41 -42.89 1 7 1 54 332.476 6 ↓
Hi High (pH 8-9.5) 1.75 8.11 -14.03 0 7 0 53 331.468 6 ↓

Analogs

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Popular Name: 2-[(4-isobutylpiperazin-1-yl)methyl]-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 2-[(4-isobutylpiperazin-1-yl)met…

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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) 1.43 10.38 -39.62 1 7 1 54 332.476 5 ↓
Hi High (pH 8-9.5) 1.43 8.44 -13.1 0 7 0 53 331.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,N-diethyl-5-methyl-2-[(4-methy…

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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 10.13 -42.44 1 7 1 54 318.449 5 ↓
Hi High (pH 8-9.5) 1.06 7.77 -13.14 0 7 0 53 317.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-5-methyl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,N-diethyl-5-methyl-2-[(4-propy…

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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) 1.94 11.54 -41.51 1 7 1 54 346.503 7 ↓
Hi High (pH 8-9.5) 1.94 9.29 -12.9 0 7 0 53 345.495 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(4-ethylpiperazin-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N,N-diethyl-2-[(4-ethylpiperazin…

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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 10.8 -40.9 1 7 1 54 332.476 6 ↓
Hi High (pH 8-9.5) 1.44 8.53 -13.04 0 7 0 53 331.468 6 ↓

Parameters Provided:

ring.id = 383851
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 = 383851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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