UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,6-dimethyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1,6-dimethyl-N-[[(1R,2S)-2-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) 1.63 6.34 -8.41 1 5 0 56 231.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,6-dimethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1,6-dimethyl-N-[[(1S,2S)-2-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) 1.63 6.41 -8.36 1 5 0 56 231.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,6-dimethyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1,6-dimethyl-N-[[(1R,2R)-2-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) 1.63 6.41 -8.35 1 5 0 56 231.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,6-dimethyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1,6-dimethyl-N-[[(1S,2R)-2-methy…

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Activity (Go SEA)

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) 1.63 6.34 -8.37 1 5 0 56 231.303 3 ↓

Analogs

37984154
37984154
44509219
44509219

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1-methyl-N-[[(1S,2R)-2-methylcyc…

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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 6.37 -7.98 1 5 0 56 217.276 3 ↓

Analogs

37984154
37984154
42804763
42804763
42804768
42804768

Draw Identity 99% 90% 80% 70%

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

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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 6.44 -7.99 1 5 0 56 217.276 3 ↓

Analogs

42804763
42804763
42804768
42804768
42804772
42804772

Draw Identity 99% 90% 80% 70%

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

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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 6.44 -8.03 1 5 0 56 217.276 3 ↓

Analogs

37984154
37984154
44509219
44509219

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 1-methyl-N-[[(1R,2S)-2-methylcyc…

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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 6.37 -7.97 1 5 0 56 217.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N,1,6-trimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-(cyclopropylmethyl)-N,1,6-trim…

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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) 1.27 7.27 -9.08 0 5 0 47 231.303 3 ↓

Parameters Provided:

ring.id = 461673
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 = 461673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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