UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-ethyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-ethyl-N-[[(1R,2S)-2-methylcycl…

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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) 2.32 9.83 -11.8 1 5 0 55 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-ethyl-N-[[(1S,2S)-2-methylcycl…

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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) 2.32 9.9 -11.91 1 5 0 55 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-ethyl-N-[[(1R,2R)-2-methylcycl…

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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) 2.32 9.9 -11.91 1 5 0 55 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5-ethyl-N-[[(1S,2R)-2-methylcycl…

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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) 2.32 9.83 -11.8 1 5 0 55 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin 5-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) 2.74 8.95 -11.74 1 5 0 55 285.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin 5-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) 2.74 9.02 -11.83 1 5 0 55 285.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin 5-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) 2.74 9.02 -11.84 1 5 0 55 285.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin 5-methyl-N-[[(1S,2R)-2-methylcyc…

Find On: PubMed — Wikipedia — Google

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) 2.74 8.95 -11.73 1 5 0 55 285.273 4 ↓

Parameters Provided:

ring.id = 543823
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 = 543823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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