UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-methyl-2-(5-nitrothiazol-2-yl)sulfanyl-1,3-benzoxazole 6-methyl-2-(5-nitrothiazol-2-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) 3.71 5.13 -9.74 0 6 0 85 293.329 3 ↓

Analogs

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Popular Name: 2-(4-methylthiazol-2-yl)sulfanyl-1,3-benzoxazol-6-amine 2-(4-methylthiazol-2-yl)sulfanyl…

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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) 2.48 1.94 -9.63 2 4 0 65 263.347 2 ↓

Analogs

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Popular Name: 2-thiazol-2-ylsulfanyl-1,3-benzoxazol-6-amine 2-thiazol-2-ylsulfanyl-1,3-benzo…

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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) 2.25 1.37 -12.15 2 4 0 65 249.32 2 ↓

Analogs

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Popular Name: 2-(4-methylthiazol-2-yl)sulfanyl-1,3-benzoxazol-5-amine 2-(4-methylthiazol-2-yl)sulfanyl…

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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) 2.48 1.1 -10.28 2 4 0 65 263.347 2 ↓

Analogs

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Popular Name: 2-thiazol-2-ylsulfanyl-1,3-benzoxazol-5-amine 2-thiazol-2-ylsulfanyl-1,3-benzo…

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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) 2.25 0.85 -12.03 2 4 0 65 249.32 2 ↓

Parameters Provided:

ring.id = 519531
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 = 519531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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