UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2790922
2790922
2791029
2791029
2791466
2791466
2791467
2791467
2791826
2791826

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Popular Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4- (2R)-2-[4-bromo-5-methyl-3-(trif…

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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) 3.01 2.72 -25.24 1 7 0 77 477.257 7 ↓

Analogs

2791029
2791029
2791466
2791466
2791467
2791467
2791826
2791826
2792221
2792221

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Popular Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4- (2S)-2-[4-bromo-5-methyl-3-(trif…

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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) 3.01 2.69 -24.63 1 7 0 77 477.257 7 ↓

Analogs

2790921
2790921
2790922
2790922

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Popular Name: (2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4 (2R)-2-[4-chloro-5-methyl-3-(tri…

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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) 2.88 3.33 -25.27 1 7 0 77 432.806 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4 (2S)-2-[4-chloro-5-methyl-3-(tri…

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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) 2.88 8.51 -24.68 1 7 0 78 432.806 7 ↓

Analogs

2790921
2790921
2790922
2790922

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Popular Name: (2R)-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol- (2R)-N-[3-(difluoromethyl)-5-(et…

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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) 2.27 3.48 -21.48 1 7 0 77 398.361 7 ↓

Analogs

2790921
2790921
2790922
2790922

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol- (2S)-N-[3-(difluoromethyl)-5-(et…

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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) 2.27 3.42 -20.77 1 7 0 77 398.361 7 ↓

Analogs

2792455
2792455
2790921
2790921
2790922
2790922

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Popular Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl] N-[3-(difluoromethyl)-5-(ethylth…

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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) 1.55 2.46 -22.84 1 7 0 77 366.344 7 ↓

Analogs

9256076
9256076

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Popular Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetami N-[3-(difluoromethyl)-5-(ethylth…

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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) 0.88 1.66 -21.87 1 10 0 123 375.361 7 ↓

Analogs

2792501
2792501
2792576
2792576
2792221
2792221

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Popular Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]acetamide 2-(4-bromo-3-methyl-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) 1.51 0.28 -19.91 1 7 0 77 395.233 6 ↓

Analogs

2790921
2790921
2790922
2790922

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Popular Name: N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl] N-[3-(difluoromethyl)-5-(ethylth…

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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) 1.91 3.1 -23.31 1 7 0 77 384.334 7 ↓

Analogs

2792455
2792455

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Popular Name: 2-(4-chloro-3-methyl-pyrazol-1-yl)-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]acetamide 2-(4-chloro-3-methyl-pyrazol-1-y…

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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) 1.38 0.89 -20.01 1 7 0 77 350.782 6 ↓

Parameters Provided:

ring.id = 237092
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 = 237092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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