UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6670866
6670866
6676375
6676375
6677284
6677284
6687628
6687628

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Popular Name: 2-ethyl-5-methyl-N-[(1R)-1-methylpropyl]-N-(3-pyridylmethyl)pyrazole-3-carboxamide 2-ethyl-5-methyl-N-[(1R)-1-methy…

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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) 2.03 7.61 -13.38 0 5 0 51 300.406 6 ↓
Lo Low (pH 4.5-6) 2.03 8.06 -37.85 1 5 1 52 301.414 6 ↓

Analogs

6670866
6670866
6676375
6676375
6677284
6677284
6687628
6687628

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-methyl-N-[(1S)-1-methylpropyl]-N-(3-pyridylmethyl)pyrazole-3-carboxamide 2-ethyl-5-methyl-N-[(1S)-1-methy…

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) 2.03 7.08 -13.55 0 5 0 51 300.406 6 ↓
Lo Low (pH 4.5-6) 2.03 7.54 -38.2 1 5 1 52 301.414 6 ↓

Analogs

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Popular Name: 4-chloro-2-ethyl-5-methyl-N-(3-pyridylmethyl)pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-(3-p…

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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) 1.19 4.44 -9.5 1 5 0 60 278.743 4 ↓
Lo Low (pH 4.5-6) 1.19 4.91 -44.03 2 5 1 61 279.751 4 ↓

Parameters Provided:

ring.id = 70626
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 = 70626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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