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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-nitropyrazol-1-yl)methylBLAH (4-nitropyrazol-1-yl)methylBLAH

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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) 1.62 0.03 -15.49 0 9 0 106 341.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethylpyrazol-1-yl)methylBLAH (3,5-dimethylpyrazol-1-yl)methyl…

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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) 2.18 -0.27 -12.47 0 6 0 60 324.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-bis(difluoromethyl)pyrazol-1-yl]methylBLAH [3,5-bis(difluoromethyl)pyrazol-…

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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) 3.29 2.33 -13.48 0 6 0 60 396.373 4 ↓

Analogs

2788782
2788782
2788909
2788909
2788976
2788976
2789709
2789709
2789875
2789875

Draw Identity 99% 90% 80% 70%

Popular Name: [5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylBLAH [5-methyl-3-(trifluoromethyl)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) 3.09 1.6 -13.75 0 6 0 60 378.383 3 ↓

Analogs

2789587
2789587

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxy-4-nitro-pyrazol-1-yl)methylBLAH (3-methoxy-4-nitro-pyrazol-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) 1.80 8.04 -18.78 0 10 0 116 371.382 4 ↓

Analogs

2788976
2788976
2789649
2789649
2789650
2789650
2789821
2789821
2789822
2789822

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylBLAH [4-chloro-5-methyl-3-(trifluorom…

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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) 3.70 11.04 -13.19 0 6 0 61 412.828 3 ↓

Analogs

2789709
2789709
2789875
2789875
2789947
2789947
2789983
2789983
2790155
2790155

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methylBLAH [3-(difluoromethyl)-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) 2.74 0.97 -13.36 0 6 0 60 360.393 3 ↓

Parameters Provided:

ring.id = 235322
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 = 235322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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