UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6262674
6262674

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Popular Name: 2-benzooxazol-2-yl-3-(4-isopropylphenyl)-prop-2-enenitrile 2-benzooxazol-2-yl-3-(4-isopropy…

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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) 5.33 1.65 -10.04 0 3 0 49 288.35 3 ↓

Analogs

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Popular Name: 3-[(E)-2-(1,3-benzoxazol-2-yl)vinyl]benzonitrile 3-[(E)-2-(1,3-benzoxazol-2-yl)vi…

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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) 4.08 6.81 -11.7 0 3 0 50 246.269 2 ↓

Analogs

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Popular Name: 2-[(E)-2-(4-chloro-3-fluoro-phenyl)vinyl]-1,3-benzoxazole 2-[(E)-2-(4-chloro-3-fluoro-phen…

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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) 5.12 6.99 -9.37 0 2 0 26 273.694 2 ↓

Analogs

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Popular Name: 2-[(E)-1-chloro-2-(4-chloro-3-fluoro-phenyl)vinyl]-1,3-benzoxazole 2-[(E)-1-chloro-2-(4-chloro-3-fl…

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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) 5.39 7.52 -7.8 0 2 0 26 308.139 2 ↓

Analogs

7914488
7914488

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Popular Name: 2-[(E)-1-chloro-2-(3,5-dimethylphenyl)vinyl]-1,3-benzoxazole 2-[(E)-1-chloro-2-(3,5-dimethylp…

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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) 5.45 9.48 -7.38 0 2 0 26 283.758 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(E)-2-(2,4-difluorophenyl)vinyl]-1,3-benzoxazole 5-chloro-2-[(E)-2-(2,4-difluorop…

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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) 5.08 7.2 -8.19 0 2 0 26 291.684 2 ↓

Parameters Provided:

ring.id = 2951
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 = 2951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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