UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-isopropyl-5-[(3-methylisoxazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-isopropyl-5-[(3-methylisoxazol…

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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) 1.46 7.09 -13.32 2 6 0 83 253.331 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-(isoxazol-5-ylmethylsulfanyl)-1,2,4-triazol-3-amine 4-isopropyl-5-(isoxazol-5-ylmeth…

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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) 1.24 6.51 -13.37 2 6 0 83 239.304 4 ↓

Analogs

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Popular Name: 5-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoxazole-3-carboxylic 5-[(5-amino-4-isopropyl-1,2,4-tr…

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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) 1.05 7.04 -49.94 2 8 -1 123 282.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-5-[(3-methylisoxazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine 4-methyl-5-[(3-methylisoxazol-5-…

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) 0.72 5.78 -14.08 2 6 0 83 225.277 3 ↓

Parameters Provided:

ring.id = 175937
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 = 175937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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