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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41528025
41528025

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Popular Name: (1R)-2-[(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-1-phenyl-ethanol (1R)-2-[(3-methyl-1H-pyrazolo[4,…

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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) 1.03 3.08 -8.35 3 6 0 87 269.308 4 ↓

Analogs

41528022
41528022

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Popular Name: (1S)-2-[(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-1-phenyl-ethanol (1S)-2-[(3-methyl-1H-pyrazolo[4,…

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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) 1.03 3 -8.47 3 6 0 87 269.308 4 ↓

Analogs

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Popular Name: 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(2-phenylethyl)- 1H-Pyrazolo[4,3-d]pyrimidin-7-am…

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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) 2.03 6.18 -8.17 2 5 0 66 253.309 4 ↓

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(4-methoxyphenyl)ethyl]-3-m…

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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) 2.08 5.48 -9.92 2 6 0 76 283.335 5 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 1.67 5.37 -12.64 2 7 0 85 313.361 6 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(2-fluorophenyl)ethyl]-3-me…

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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) 2.14 6.22 -9.23 2 5 0 66 271.299 4 ↓

Analogs

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(3-fluorophenyl)ethyl]-3-me…

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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) 2.17 6.24 -9.54 2 5 0 66 271.299 4 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(4-fluorophenyl)ethyl]-3-me…

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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) 2.19 6.24 -9.63 2 5 0 66 271.299 4 ↓

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(2-chlorophenyl)ethyl]-3-me…

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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 6.59 -8.53 2 5 0 66 287.754 4 ↓

Analogs

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Popular Name: N-[2-(3-chlorophenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(3-chlorophenyl)ethyl]-3-me…

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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) 2.68 6.69 -8.86 2 5 0 66 287.754 4 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(4-chlorophenyl)ethyl]-3-me…

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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) 2.70 6.7 -8.9 2 5 0 66 287.754 4 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(2-methoxyphenyl)ethyl]-3-m…

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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) 2.03 5.53 -9.08 2 6 0 76 283.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[2-(3-methoxyphenyl)ethyl]-3-m…

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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) 2.06 5.48 -9.86 2 6 0 76 283.335 5 ↓

Parameters Provided:

ring.id = 539467
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 = 539467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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