UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2787659
2787659

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Popular Name: 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methyl-pyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 3-bromo-7-(difluoromethyl)-5-(1-…

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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) 3.18 2.54 -20.97 0 5 0 48 370.201 3 ↓

Analogs

2786796
2786796
2802451
2802451
20616576
20616576
2766706
2766706
2770748
2770748

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Popular Name: 7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(1,5-dimeth…

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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) 2.06 7.05 -16.53 0 5 0 48 277.278 2 ↓

Analogs

2802451
2802451
20616566
20616566
20617624
20617624
2766807
2766807

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Popular Name: 3-chloro-5-(1-ethyl-3-methyl-pyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(1-ethyl-3-methyl-pyr…

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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) 3.40 3.76 -13.36 0 5 0 48 343.74 3 ↓

Analogs

20616566
20616566
20616576
20616576
2766706
2766706

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 3-chloro-7-(difluoromethyl)-5-(1…

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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) 2.67 3.01 -16.25 0 5 0 48 311.723 2 ↓

Analogs

2787659
2787659
2786543
2786543

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Popular Name: 3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 3-bromo-7-(difluoromethyl)-5-(1,…

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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) 2.80 2.4 -16.23 0 5 0 48 356.174 2 ↓

Analogs

20616566
20616566
20616576
20616576
20617624
20617624
2770748
2770748
2766802
2766802

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(1-ethyl-5-methyl-pyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(1-ethyl-5-methyl-pyr…

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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) 3.40 3.68 -9.83 0 5 0 48 343.74 3 ↓

Analogs

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Popular Name: 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(1,3-dimethylpyrazol-…

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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) 3.02 3.68 -13.53 0 5 0 48 329.713 2 ↓

Analogs

20616566
20616566
20616576
20616576
20617624
20617624
2770748
2770748
2766802
2766802

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-7-(difluoromethyl)-5-(1-ethyl-5-methyl-pyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 3-chloro-7-(difluoromethyl)-5-(1…

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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) 3.04 3.1 -15.86 0 5 0 48 325.75 3 ↓

Analogs

2786796
2786796
2786357
2786357
2766706
2766706

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-bromo-5-(1,3-dimethylpyrazol-4…

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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) 3.16 3.07 -13.56 0 5 0 48 374.164 2 ↓

Analogs

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Popular Name: 5-(1,3-dimethylpyrazol-4-yl)-N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(1,3-dimethylpyrazol-4-yl)-N-h…

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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) 4.08 2.03 -14.95 1 7 0 77 408.428 8 ↓

Analogs

2786543
2786543
2786732
2786732

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Popular Name: 7-(difluoromethyl)-5-(1-ethyl-3-methyl-pyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(1-ethyl-3-…

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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) 2.44 3.31 -20.58 0 5 0 48 291.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(1-ethyl-5-methyl-pyrazol-4-yl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(1-ethyl-5-…

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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) 2.44 3.25 -16.13 0 5 0 48 291.305 3 ↓

Parameters Provided:

ring.id = 235526
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 = 235526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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