UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36614550
36614550
36615176
36615176
36615222
36615222

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Popular Name: N-isopropyl-2-[2-(4-methoxyphenyl)-4-oxo-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide N-isopropyl-2-[2-(4-methoxypheny…

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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) 1.08 6.27 -18.87 1 8 0 91 341.371 5 ↓

Analogs

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Popular Name: [(3S)-1-[3-[(2-chlorophenyl)methyl]-5-(1-isoquinolylmethyl)-4-oxo-pyrazolo[1,5-d][1,2,4]triazin-2-yl [(3S)-1-[3-[(2-chlorophenyl)meth…

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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) 5.47 12.73 -58.63 1 10 -1 120 543.007 6 ↓
Mid Mid (pH 6-8) 5.47 13.28 -67.12 2 10 0 122 544.015 6 ↓
Lo Low (pH 4.5-6) 5.47 11.34 -36.48 3 10 1 119 545.023 6 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one 2-(4-methoxyphenyl)pyrazolo[1,5-…

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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) 1.69 2.52 -44.49 0 6 -1 75 241.23 2 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-5-phenethyl-pyrazolo[1,5-d][1,2,4]triazin-4-one 2-(4-fluorophenyl)-5-phenethyl-p…

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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) 3.22 11.42 -9.42 0 5 0 52 334.354 4 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-5-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one 2-(4-ethoxyphenyl)-5-[[3-(p-toly…

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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) 3.83 10 -15.43 0 9 0 100 428.452 6 ↓

Parameters Provided:

ring.id = 82769
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 = 82769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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