UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-ethyl-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-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) 1.62 6.53 -11.76 1 7 0 73 285.355 3 ↓

Analogs

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Popular Name: 3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-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) 1.18 4.63 -11.02 2 7 0 84 257.301 2 ↓
Lo Low (pH 4.5-6) 1.18 5.1 -32.31 3 7 1 86 258.309 2 ↓

Analogs

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Popular Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-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) 1.55 5.1 -10.54 2 7 0 84 271.328 3 ↓
Lo Low (pH 4.5-6) 1.55 5.61 -31.39 3 7 1 86 272.336 3 ↓

Analogs

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Popular Name: N-(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-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) 1.92 6.16 -10.43 2 7 0 84 285.355 3 ↓
Lo Low (pH 4.5-6) 1.92 6.65 -30.15 3 7 1 86 286.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-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) 0.73 3.56 -11.51 2 7 0 84 229.247 2 ↓

Analogs

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Popular Name: N-(1-ethylpyrazol-4-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-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) 1.11 4.43 -11.28 2 7 0 84 243.274 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-isopropylpyrazol-4-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-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) 1.47 4.94 -10.65 2 7 0 84 257.301 3 ↓

Parameters Provided:

ring.id = 170956
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 = 170956 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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