UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[3-(dimethylamino)acryloyl]-2-(3-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 6-[3-(dimethylamino)acryloyl]-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) 0.41 2.51 -15.01 0 8 0 86 330.344 5 ↓

Analogs

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Popular Name: 6-acetyl-2-(2,4-difluorophenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 6-acetyl-2-(2,4-difluorophenyl)-…

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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) 0.80 6.56 -9.82 0 6 0 74 281.218 2 ↓

Analogs

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Popular Name: 6-(2-bromoacetyl)-2-(2,4-difluorophenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 6-(2-bromoacetyl)-2-(2,4-difluor…

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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) 1.16 7.26 -9.89 0 6 0 74 360.114 3 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-6-[3-(dimethylamino)acryloyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 2-(4-chlorophenyl)-6-[3-(dimethy…

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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) 0.85 8.29 -11.41 0 7 0 77 334.763 4 ↓

Analogs

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Popular Name: 6-acetyl-2-(3,5-dichlorophenyl)-1,2,4-triazine-3,5(2H,4H)-dione 6-acetyl-2-(3,5-dichlorophenyl)-…

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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) 1.97 -0.03 -8.9 1 6 0 84 300.101 2 ↓

Analogs

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Popular Name: 2-(2,4-difluorophenyl)-6-[3-(dimethylamino)acryloyl]-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 2-(2,4-difluorophenyl)-6-[3-(dim…

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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) 0.63 7.96 -11.82 0 7 0 77 336.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-acetyl-2-(3,5-dichlorophenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione 6-acetyl-2-(3,5-dichlorophenyl)-…

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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) 2.04 1.88 -9.16 0 6 0 73 314.128 2 ↓

Parameters Provided:

ring.id = 227168
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 = 227168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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