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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamin N-[[(1R,5S)-8-methyl-8-azabicycl…

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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) 1.50 7.38 -103.66 3 4 2 39 278.444 4 ↓
Hi High (pH 8-9.5) 1.50 6.42 -37.58 2 4 1 34 277.436 4 ↓

Analogs

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Popular Name: N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine N-[[(1R,5S)-8-methyl-8-azabicycl…

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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) 1.05 6.48 -100.32 3 4 2 39 250.39 4 ↓
Hi High (pH 8-9.5) 1.05 5.51 -34.87 2 4 1 34 249.382 4 ↓

Analogs

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Popular Name: 1-(1-tert-butylpyrazol-4-yl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]methanamine 1-(1-tert-butylpyrazol-4-yl)-N-[…

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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) 2.24 8.49 -99.75 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.24 7.52 -33.89 2 4 1 34 291.463 5 ↓

Analogs

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Popular Name: 1-(3-isopropyl-1-methyl-pyrazol-4-yl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]meth 1-(3-isopropyl-1-methyl-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) 2.33 8.3 -104.49 3 4 2 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.33 7.35 -36.29 2 4 1 34 291.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]methanami 1-(3,5-dimethyl-1H-pyrazol-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) 1.43 6.17 -102.17 4 4 2 50 264.417 4 ↓
Hi High (pH 8-9.5) 1.43 5.21 -35.52 3 4 1 45 263.409 4 ↓

Parameters Provided:

ring.id = 585761
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 = 585761 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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