UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(6-methyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]-N-phenyl-acetamide 2-[(6-methyl-7-oxo-8H-[1,2,4]tri…

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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) 1.37 5.2 -46.03 1 8 -1 108 315.338 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.55 5.82 -48.03 1 10 -1 134 373.374 6 ↓

Analogs

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Popular Name: 2-[(6-tert-butyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]-N-[2-(trifluoromethyl) 2-[(6-tert-butyl-7-oxo-8H-[1,2,4…

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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) 3.95 8.37 -44.44 1 8 -1 108 425.416 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.40 8.13 -47.04 1 10 -1 134 415.455 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.27 7.76 -48.85 1 10 -1 134 415.455 7 ↓

Analogs

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Popular Name: 2-[(6-tert-butyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]-N-(5-chloro-2-methoxy- 2-[(6-tert-butyl-7-oxo-8H-[1,2,4…

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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) 3.76 7.07 -47.19 1 9 -1 117 421.89 6 ↓

Analogs

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Popular Name: 2-[(6-tert-butyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl 2-[(6-tert-butyl-7-oxo-8H-[1,2,4…

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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) 3.14 5.87 -49.58 1 10 -1 127 417.471 7 ↓

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-[(6-tert-butyl-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl)sulfanyl]a N-(4-acetamidophenyl)-2-[(6-tert…

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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) 2.32 6 -53.36 2 10 -1 137 414.471 6 ↓

Analogs

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Popular Name: (2R)-2-[(7-hydroxy-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(o-tolyl)propanami (2R)-2-[(7-hydroxy-6-methyl-[1,2…

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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) 2.14 5.92 -44.83 1 8 -1 108 343.392 4 ↓

Analogs

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Popular Name: (2S)-2-[(7-hydroxy-6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(o-tolyl)propanami (2S)-2-[(7-hydroxy-6-methyl-[1,2…

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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) 2.14 5.93 -44.77 1 8 -1 108 343.392 4 ↓

Parameters Provided:

ring.id = 115160
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 = 115160 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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