UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-N'-(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1-cyclopropyl-N,N-dimethyl-ethane-1,2-diami (1R)-N'-(3-bromo-1-methyl-pyrazo…

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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) 1.89 7.92 -38.42 2 6 1 60 340.249 5 ↓
Hi High (pH 8-9.5) 1.89 5.61 -6.03 1 6 0 59 339.241 5 ↓

Analogs

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Popular Name: (1S)-N'-(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1-cyclopropyl-N,N-dimethyl-ethane-1,2-diami (1S)-N'-(3-bromo-1-methyl-pyrazo…

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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) 1.89 7.92 -38.5 2 6 1 60 340.249 5 ↓
Hi High (pH 8-9.5) 1.89 5.75 -5.97 1 6 0 59 339.241 5 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 1.54 7.38 -8.03 1 5 0 56 231.303 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 1.54 7.46 -8.06 1 5 0 56 231.303 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(cyclopropylmethyl)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1S)-1-(cyclopropylmethyl)pro…

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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) 2.07 8.18 -7.79 1 5 0 56 245.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(cyclopropylmethyl)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1R)-1-(cyclopropylmethyl)pro…

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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) 2.07 8.26 -7.78 1 5 0 56 245.33 5 ↓

Parameters Provided:

ring.id = 430909
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 = 430909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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