UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[3-(4-bromophenyl)-7-oxo-triazolo[5,4-d]pyrimidin-6-yl]-N-(3-chlorophenyl)acetamide 2-[3-(4-bromophenyl)-7-oxo-triaz…

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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) 3.75 0.07 -24.98 1 8 0 95 459.691 4 ↓

Analogs

8903193
8903193

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Popular Name: 2-[3-(4-bromophenyl)-7-oxo-triazolo[5,4-d]pyrimidin-6-yl]-N-(4-chlorophenyl)acetamide 2-[3-(4-bromophenyl)-7-oxo-triaz…

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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) 3.78 0.09 -26.54 1 8 0 95 459.691 4 ↓

Analogs

17052348
17052348
9517805
9517805
5033290
5033290

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Popular Name: N-(3,5-dimethylphenyl)-2-[7-oxo-3-[4-(trifluoromethoxy)phenyl]triazolo[5,4-d]pyrimidin-6-yl]acetamid N-(3,5-dimethylphenyl)-2-[7-oxo-…

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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 3.16 -25.11 1 9 0 104 458.4 6 ↓

Analogs

16955128
16955128
16955142
16955142
16960701
16960701
17052348
17052348
17052354
17052354

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Popular Name: 2-[7-oxo-3-[4-(trifluoromethoxy)phenyl]triazolo[5,4-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]a 2-[7-oxo-3-[4-(trifluoromethoxy)…

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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) 4.10 4.93 -21.98 1 9 0 104 498.343 7 ↓

Analogs

8903605
8903605
8903661
8903661

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[3-(m-tolyl)-7-oxo-triazolo[5,4-d]pyrimidin-6-yl]acetamide N-(3,4-dimethoxyphenyl)-2-[3-(m-…

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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) 2.57 1.64 -31.2 1 10 0 113 420.429 6 ↓

Analogs

8903675
8903675
8903617
8903617

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Popular Name: 2-[3-(m-tolyl)-7-oxo-triazolo[5,4-d]pyrimidin-6-yl]-N-(4-nitrophenyl)acetamide 2-[3-(m-tolyl)-7-oxo-triazolo[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) 2.88 1.84 -33.77 1 11 0 141 405.374 5 ↓

Analogs

9278192
9278192
9278168
9278168
5057356
5057356

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Popular Name: 2-[3-(3-chloro-4-methyl-phenyl)-7-oxo-triazolo[5,4-d]pyrimidin-6-yl]-N-(4-nitrophenyl)acetamide 2-[3-(3-chloro-4-methyl-phenyl)-…

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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) 3.51 1.67 -32.55 1 11 0 141 439.819 5 ↓

Parameters Provided:

ring.id = 81780
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 = 81780 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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