UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[4,5-e]pyrimidin-4-amine 1-methyl-N-(1,3,5-trimethylpyraz…

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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) 1.02 6.1 -12.3 1 7 0 73 257.301 2 ↓

Analogs

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Popular Name: 3-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-methylsulfanyl-N-(1,3,5-trimet…

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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) 1.68 5.79 -10.11 2 7 0 84 289.368 3 ↓
Lo Low (pH 4.5-6) 1.68 5.91 -32.4 3 7 1 86 290.376 3 ↓

Analogs

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Popular Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(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) 2.05 6.77 -10.19 2 7 0 84 303.395 4 ↓
Lo Low (pH 4.5-6) 2.05 6.91 -31.4 3 7 1 86 304.403 4 ↓

Analogs

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Popular Name: N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-isopropyl-3,5-dimethyl-pyra…

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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) 2.42 7.35 -9.64 2 7 0 84 317.422 4 ↓
Lo Low (pH 4.5-6) 2.42 7.49 -30.17 3 7 1 86 318.43 4 ↓

Analogs

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Popular Name: N-(1-methylpyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-methylpyrazol-4-yl)-3-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) 1.23 5.24 -11.03 2 7 0 84 261.314 3 ↓

Analogs

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Popular Name: N-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-ethylpyrazol-4-yl)-3-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) 1.61 6.1 -10.82 2 7 0 84 275.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-isopropylpyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-isopropylpyrazol-4-yl)-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) 1.97 6.62 -10.19 2 7 0 84 289.368 4 ↓

Analogs

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Popular Name: 2-[4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-1-yl]ethanol 2-[4-[(1,6-dimethylpyrazolo[3,4-…

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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) 0.04 2.8 -13.47 2 8 0 94 273.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-1-yl]ethanol 2-[4-[(1-methylpyrazolo[3,4-d]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) -0.05 2.85 -13.29 2 8 0 94 259.273 4 ↓

Parameters Provided:

ring.id = 85551
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 = 85551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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