UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1S)-1-(1-adamantyl)ethyl]-5-(chloromethyl)tetrazole 1-[(1S)-1-(1-adamantyl)ethyl]-5-…

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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) 3.30 8.15 -10.09 0 4 0 44 280.803 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(1-adamantyl)ethyl]-5-(chloromethyl)tetrazole 1-[(1R)-1-(1-adamantyl)ethyl]-5-…

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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) 3.30 8.15 -9.73 0 4 0 44 280.803 3 ↓

Analogs

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Popular Name: [1-[(1S)-1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine [1-[(1S)-1-(1-adamantyl)ethyl]te…

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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) 1.91 4.98 -62.91 3 5 1 71 262.381 3 ↓
Hi High (pH 8-9.5) 1.91 4.54 -9.35 2 5 0 70 261.373 3 ↓

Analogs

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Popular Name: [1-[(1R)-1-(1-adamantyl)ethyl]tetrazol-5-yl]methanamine [1-[(1R)-1-(1-adamantyl)ethyl]te…

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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) 1.91 4.92 -62.28 3 5 1 71 262.381 3 ↓
Hi High (pH 8-9.5) 1.91 4.54 -9.26 2 5 0 70 261.373 3 ↓

Analogs

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Popular Name: 1-[1-[(1S)-1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1S)-1-(1-adamantyl)ethyl]…

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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) 2.28 6.85 -55.99 2 5 1 60 276.408 4 ↓
Hi High (pH 8-9.5) 2.28 5.42 -10.32 1 5 0 56 275.4 4 ↓

Analogs

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Popular Name: 1-[1-[(1R)-1-(1-adamantyl)ethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1R)-1-(1-adamantyl)ethyl]…

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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) 2.28 6.8 -55.75 2 5 1 60 276.408 4 ↓
Hi High (pH 8-9.5) 2.28 5.37 -10.29 1 5 0 56 275.4 4 ↓

Analogs

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Popular Name: N-[[1-[(1S)-1-(1-adamantyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-(1-adamantyl)ethyl…

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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) 2.66 7.71 -54.81 2 5 1 60 290.435 5 ↓
Hi High (pH 8-9.5) 2.66 6.3 -8.37 1 5 0 56 289.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-(1-adamantyl)ethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-(1-adamantyl)ethyl…

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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) 2.66 7.66 -54.84 2 5 1 60 290.435 5 ↓
Hi High (pH 8-9.5) 2.66 6.3 -8.32 1 5 0 56 289.427 5 ↓

Parameters Provided:

ring.id = 151594
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 = 151594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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