UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2791121
2791121
2791397
2791397

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Popular Name: 2-(difluoromethyl)-N-[3-(methylthio)-5-(trifluoromethyl)-1,2,4-triazol-4-yl]pyrazole-3-carboxamide 2-(difluoromethyl)-N-[3-(methylt…

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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) 1.42 4.59 -12.95 1 7 0 78 342.253 5 ↓

Analogs

2791397
2791397
2791773
2791773
2791830
2791830
2790149
2790149
2791006
2791006

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Popular Name: 2-(difluoromethyl)-N-[3-(difluoromethyl)-5-(ethylthio)-1,2,4-triazol-4-yl]pyrazole-3-carboxamide 2-(difluoromethyl)-N-[3-(difluor…

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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) 1.44 1.98 -17.2 1 7 0 77 338.29 6 ↓

Analogs

2791773
2791773
2791830
2791830
2790149
2790149
2791006
2791006
2791121
2791121

Draw Identity 99% 90% 80% 70%

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

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) 1.79 2.49 -12.66 1 7 0 77 356.28 6 ↓

Analogs

2791397
2791397
2791121
2791121

Draw Identity 99% 90% 80% 70%

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

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) 2.01 3.57 -11.41 1 7 0 77 370.307 6 ↓

Parameters Provided:

ring.id = 236894
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 = 236894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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