UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-amino-5-[(3-methylisoxazol-5-yl)methylamino]-1-propyl-pyrimidine-2,4-dione 6-amino-5-[(3-methylisoxazol-5-y…

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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) 0.00 1.78 -13.55 4 8 0 119 279.3 5 ↓

Analogs

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Popular Name: 6-amino-1-butyl-5-[(3-methylisoxazol-5-yl)methylamino]pyrimidine-2,4-dione 6-amino-1-butyl-5-[(3-methylisox…

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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) 0.56 2.56 -13.6 4 8 0 119 293.327 6 ↓

Analogs

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Popular Name: 6-amino-1-(2-methoxyethyl)-5-[(3-methylisoxazol-5-yl)methylamino]pyrimidine-2,4-dione 6-amino-1-(2-methoxyethyl)-5-[(3…

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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) -0.89 0.62 -16.65 4 9 0 128 295.299 6 ↓

Analogs

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Popular Name: 6-amino-1-isobutyl-5-[(3-methylisoxazol-5-yl)methylamino]pyrimidine-2,4-dione 6-amino-1-isobutyl-5-[(3-methyli…

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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) 0.25 2.1 -13.54 4 8 0 119 293.327 5 ↓

Analogs

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Popular Name: 6-amino-3-methyl-5-[(3-methylisoxazol-5-yl)methylamino]-1-propyl-pyrimidine-2,4-dione 6-amino-3-methyl-5-[(3-methyliso…

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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) 0.07 3.94 -13.44 3 8 0 108 293.327 5 ↓

Analogs

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Popular Name: 6-amino-1-ethyl-5-[(3-methylisoxazol-5-yl)methylamino]pyrimidine-2,4-dione 6-amino-1-ethyl-5-[(3-methylisox…

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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) -0.50 1.04 -13.87 4 8 0 119 265.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1-methyl-5-[(3-methylisoxazol-5-yl)methylamino]pyrimidine-2,4-dione 6-amino-1-methyl-5-[(3-methyliso…

Find On: PubMed — Wikipedia — Google

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) -0.87 0.11 -14.13 4 8 0 119 251.246 3 ↓

Parameters Provided:

ring.id = 14791
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 = 14791 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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