UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4,5-dimethoxy-2-[[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoic 4,5-dimethoxy-2-[[2-(5-oxo-4-phe…

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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) 0.77 5.18 -52.94 1 11 -1 140 398.355 7 ↓

Analogs

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Popular Name: 5-chloro-2-[[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoic 5-chloro-2-[[2-(5-oxo-4-phenyl-t…

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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) 1.81 6.45 -49.92 1 9 -1 122 372.748 5 ↓

Analogs

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Popular Name: 3-methyl-2-[[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoic 3-methyl-2-[[2-(5-oxo-4-phenyl-t…

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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) 0.62 6.79 -60.54 1 9 -1 122 352.33 5 ↓

Analogs

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Popular Name: 5-iodo-2-[[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoic 5-iodo-2-[[2-(5-oxo-4-phenyl-tet…

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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) 2.21 7.03 -49.91 1 9 -1 122 464.199 5 ↓

Analogs

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Popular Name: 4-fluoro-2-[[2-(5-oxo-4-phenyl-tetrazol-1-yl)acetyl]amino]benzoic 4-fluoro-2-[[2-(5-oxo-4-phenyl-t…

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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) 1.29 6.01 -48.96 1 9 -1 122 356.293 5 ↓

Analogs

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Popular Name: 2-[4-(2-chlorophenyl)-5-oxo-tetrazol-1-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide 2-[4-(2-chlorophenyl)-5-oxo-tetr…

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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) 2.88 7.55 -19.02 1 8 0 91 427.77 7 ↓

Parameters Provided:

ring.id = 127972
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 = 127972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=127972&filter.purchasability=annotated

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