UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-benzyl-2,5-dimethyl-oxazolo[4,5-e]pyrimidin-7-amine N-benzyl-2,5-dimethyl-oxazolo[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) 1.81 2.67 -8.96 1 5 0 64 254.293 3 ↓

Analogs

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Popular Name: 2-[benzyl-(2-methyloxazolo[5,4-d]pyrimidin-7-yl)amino]ethanol 2-[benzyl-(2-methyloxazolo[5,4-d…

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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) 1.34 3.14 -10.07 1 6 0 75 284.319 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-methyl-oxazolo[5,4-d]pyrimidin-7-amine N-[(1R)-1-(3,4-diethoxyphenyl)et…

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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 4.58 -12.18 1 7 0 82 342.399 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methyl-oxazolo[5,4-d]pyrimidin-7-amine N-[(1S)-1-(3,4-diethoxyphenyl)et…

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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 4.58 -12.14 1 7 0 82 342.399 7 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-(2-propoxyphenyl)ethyl]oxazolo[5,4-d]pyrimidin-7-amine 2-methyl-N-[(1R)-1-(2-propoxyphe…

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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) 3.17 4.66 -9.7 1 6 0 73 312.373 6 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-(2-propoxyphenyl)ethyl]oxazolo[5,4-d]pyrimidin-7-amine 2-methyl-N-[(1S)-1-(2-propoxyphe…

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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) 3.17 4.69 -9.78 1 6 0 73 312.373 6 ↓

Analogs

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Popular Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-N,2,5-trimethyl-oxazolo[5,4-d]pyrimidin-7-amine N-[[2-(dimethylaminomethyl)pheny…

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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) 1.81 7.6 -46.88 1 6 1 59 326.424 5 ↓
Hi High (pH 8-9.5) 1.81 5.62 -9.62 0 6 0 58 325.416 5 ↓

Analogs

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Popular Name: 2-[(3-ethoxyphenyl)methyl-(2-methyloxazolo[5,4-d]pyrimidin-7-yl)amino]ethanol 2-[(3-ethoxyphenyl)methyl-(2-met…

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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) 1.75 3.97 -12.09 1 7 0 85 328.372 7 ↓

Parameters Provided:

ring.id = 261334
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 = 261334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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