UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40770559
40770559
34830666
34830666
34830667
34830667
34830685
34830685
34830699
34830699

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Popular Name: 2-ethyl-5-methyl-N-[(1R)-tetralin-1-yl]pyrazole-3-carboxamide 2-ethyl-5-methyl-N-[(1R)-tetrali…

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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) 1.88 7.5 -9.25 1 4 0 47 283.375 3 ↓

Analogs

34830666
34830666
34830667
34830667
34830685
34830685
34830699
34830699
34830700
34830700

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Popular Name: 2-ethyl-5-methyl-N-[(1S)-tetralin-1-yl]pyrazole-3-carboxamide 2-ethyl-5-methyl-N-[(1S)-tetrali…

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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) 1.88 7.51 -9.16 1 4 0 47 283.375 3 ↓

Analogs

40770902
40770902
34830852
34830852
34830853
34830853
34830916
34830916
34830917
34830917

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Popular Name: 4-chloro-2-ethyl-5-methyl-N-[(1R)-tetralin-1-yl]pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-[(1R…

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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) 2.48 7.9 -10.21 1 4 0 47 317.82 3 ↓

Analogs

34830800
34830800
34830801
34830801
34830852
34830852
34830853
34830853
34830916
34830916

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-ethyl-5-methyl-N-[(1S)-tetralin-1-yl]pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-[(1S…

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) 2.48 7.92 -9.47 1 4 0 47 317.82 3 ↓

Parameters Provided:

ring.id = 506182
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 = 506182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=506182&filter.purchasability=annotated

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