UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

29259290
29259290
29259293
29259293
36164168
36164168

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Popular Name: N-methyl-N-[(1R)-tetralin-1-yl]-1H-pyrazole-4-carboxamide N-methyl-N-[(1R)-tetralin-1-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) 1.58 6.79 -9.66 1 4 0 49 255.321 2 ↓

Analogs

29259290
29259290
29259293
29259293
36164168
36164168

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-tetralin-1-yl]-1H-pyrazole-4-carboxamide N-methyl-N-[(1S)-tetralin-1-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) 1.58 6.79 -9.81 1 4 0 49 255.321 2 ↓

Analogs

36164205
36164205
36164202
36164202

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[(1R)-tetralin-1-yl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[(1R)-tetralin…

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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) 2.02 8.11 -10.03 1 4 0 49 283.375 2 ↓

Analogs

36164205
36164205
36164202
36164202

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[(1S)-tetralin-1-yl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[(1S)-tetralin…

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) 2.02 8.09 -9.79 1 4 0 49 283.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1S)-tetralin-1-yl]-1H-pyrazole-4-carboxamide 5-methyl-N-[(1S)-tetralin-1-yl]-…

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) 1.12 5.33 -9.35 2 4 0 58 255.321 2 ↓

Parameters Provided:

ring.id = 344098
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 = 344098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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