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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2790912
2790912

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5S,7S)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-y 5-[(5S,7S)-5-(3,4-dimethylphenyl…

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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) 4.42 11.46 -57.26 1 7 -1 70 477.536 5 ↓
Mid Mid (pH 6-8) 3.70 11.77 -18.85 2 7 0 73 478.544 5 ↓

Analogs

2790912
2790912

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5S,7R)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-y 5-[(5S,7R)-5-(3,4-dimethylphenyl…

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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) 4.42 12.22 -54.4 1 7 -1 70 477.536 5 ↓
Mid Mid (pH 6-8) 3.70 12.38 -17.46 2 7 0 73 478.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5R,7R)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-y 5-[(5R,7R)-5-(3,4-dimethylphenyl…

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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) 4.42 11.46 -57.5 1 7 -1 70 477.536 5 ↓
Mid Mid (pH 6-8) 3.70 11.73 -19.08 2 7 0 73 478.544 5 ↓

Analogs

13959794
13959794
13959795
13959795
13959796
13959796

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5S,7R)-5-p-cumenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-4-[[(2S) 5-[(5S,7R)-5-p-cumenyl-7-(triflu…

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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) 5.11 12.92 -54.2 1 7 -1 70 491.563 6 ↓
Mid Mid (pH 6-8) 4.38 12.86 -13.59 2 7 0 73 492.571 6 ↓

Analogs

22714658
22714658
22714666
22714666

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5R,7S)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-y 5-[(5R,7S)-5-(3,4-dimethylphenyl…

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) 4.42 12.22 -53.84 1 7 -1 70 477.536 5 ↓
Mid Mid (pH 6-8) 3.70 12.39 -17.19 2 7 0 73 478.544 5 ↓

Parameters Provided:

ring.id = 113528
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 = 113528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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