UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-(isoxazol-4-ylmethyl)triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-(isoxazol-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) 0.55 2.83 -15.99 0 6 0 74 246.148 4 ↓

Analogs

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Popular Name: 1-[1-[(3,5-dimethylisoxazol-4-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(3,5-dimethylisoxazol-4-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) 0.99 3.97 -16.33 0 6 0 74 274.202 4 ↓

Analogs

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Popular Name: 2-[1-(isoxazol-4-ylmethyl)triazol-4-yl]propan-2-amine 2-[1-(isoxazol-4-ylmethyl)triazo…

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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) 0.29 1.08 -59.68 3 6 1 84 208.245 3 ↓
Hi High (pH 8-9.5) 0.29 0.82 -13.8 2 6 0 83 207.237 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(3,5-dimethylisoxazol-4-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(3,5-dimethylisoxazol-4-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) 0.73 2.32 -58.76 3 6 1 84 236.299 3 ↓
Hi High (pH 8-9.5) 0.73 2.06 -13.85 2 6 0 83 235.291 3 ↓

Parameters Provided:

ring.id = 93264
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 = 93264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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