UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-1-[(1S)-1-[(1-methylpyrazol-4-yl)methyl]tetralin-1-yl]methanamine N-methyl-1-[(1S)-1-[(1-methylpyr…

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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) 2.73 8.5 -44.95 2 3 1 34 270.4 4 ↓

Analogs

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Popular Name: N-methyl-1-[(1R)-1-[(1-methylpyrazol-4-yl)methyl]tetralin-1-yl]methanamine N-methyl-1-[(1R)-1-[(1-methylpyr…

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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) 2.73 7.96 -50.59 2 3 1 34 270.4 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-[(1-ethylpyrazol-4-yl)methyl]tetralin-1-yl]-N-methyl-methanamine 1-[(1R)-1-[(1-ethylpyrazol-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) 3.10 8.82 -50.92 2 3 1 34 284.427 5 ↓

Analogs

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Popular Name: 1-[(1S)-1-[(1-ethylpyrazol-4-yl)methyl]tetralin-1-yl]-N-methyl-methanamine 1-[(1S)-1-[(1-ethylpyrazol-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) 3.10 9.36 -45.23 2 3 1 34 284.427 5 ↓

Analogs

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Popular Name: N-[[(1S)-1-[(1-methylpyrazol-4-yl)methyl]tetralin-1-yl]methyl]ethanamine N-[[(1S)-1-[(1-methylpyrazol-4-y…

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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) 2.75 9.34 -43.01 2 3 1 34 284.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-1-[(1-methylpyrazol-4-yl)methyl]tetralin-1-yl]methyl]ethanamine N-[[(1R)-1-[(1-methylpyrazol-4-y…

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) 2.75 8.82 -48.06 2 3 1 34 284.427 5 ↓

Parameters Provided:

ring.id = 134598
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 = 134598 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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