UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-4-phenyl-tetrazol-5-one 1-[(4-chlorophenyl)methyl]-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) 2.58 7.98 -7.24 0 5 0 53 286.722 3 ↓

Analogs

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Popular Name: 1-[(2,4-dichlorophenyl)methyl]-4-phenyl-tetrazol-5-one 1-[(2,4-dichlorophenyl)methyl]-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) 3.18 8.39 -6.27 0 5 0 53 321.167 3 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-4-phenyl-tetrazol-5-one 1-[(4-fluorophenyl)methyl]-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) 2.06 7.53 -7.74 0 5 0 53 270.267 3 ↓

Analogs

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Popular Name: 1-[(3-chlorophenyl)methyl]-4-phenyl-tetrazol-5-one 1-[(3-chlorophenyl)methyl]-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) 2.55 7.97 -8.24 0 5 0 53 286.722 3 ↓

Analogs

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Popular Name: 1-phenyl-4-[[2-(trifluoromethyl)phenyl]methyl]tetrazol-5-one 1-phenyl-4-[[2-(trifluoromethyl)…

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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) 2.75 8.66 -7.15 0 5 0 53 320.274 4 ↓

Analogs

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Popular Name: 3-[(5-oxo-4-phenyl-tetrazol-1-yl)methyl]benzonitrile 3-[(5-oxo-4-phenyl-tetrazol-1-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) 1.63 7.84 -11.59 0 6 0 77 277.287 3 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-4-phenyl-tetrazol-5-one 1-[(3-fluorophenyl)methyl]-4-phe…

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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) 2.04 7.53 -9.12 0 5 0 53 270.267 3 ↓

Parameters Provided:

ring.id = 238794
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 = 238794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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