UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-amino-1-benzyl-5-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]pyrimidine-2,4-dione 6-amino-1-benzyl-5-[(2-fluorophe…

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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) 2.39 7.81 -13.85 3 7 0 93 412.465 9 ↓

Analogs

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Popular Name: 4-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-(3-methoxypropyl)amino]methyl]benzonitrile 4-[[(6-amino-1-benzyl-2,4-dioxo-…

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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) 2.03 8.08 -18.44 3 8 0 117 419.485 9 ↓

Analogs

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Popular Name: 6-amino-1-benzyl-5-[3-methoxypropyl-[(2-nitrophenyl)methyl]amino]pyrimidine-2,4-dione 6-amino-1-benzyl-5-[3-methoxypro…

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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) 2.19 8.59 -14.43 3 10 0 139 439.472 10 ↓

Analogs

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Popular Name: 6-amino-1-benzyl-5-(3-methoxypropyl-(o-tolylmethyl)amino)pyrimidine-2,4-dione 6-amino-1-benzyl-5-(3-methoxypro…

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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) 2.68 8.48 -14.78 3 7 0 93 408.502 9 ↓

Analogs

25143584
25143584

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Popular Name: 6-amino-1-benzyl-5-[3-methoxypropyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione 6-amino-1-benzyl-5-[3-methoxypro…

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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) 3.15 8.83 -14.15 3 7 0 93 462.472 10 ↓

Analogs

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Popular Name: 6-amino-1-benzyl-5-[3-methoxypropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione 6-amino-1-benzyl-5-[3-methoxypro…

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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) 3.12 8.89 -16.06 3 7 0 93 462.472 10 ↓

Analogs

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Popular Name: 5-(benzylamino)-1-[(2,4-dichlorophenyl)methyl]pyrimidine-2,4-dione 5-(benzylamino)-1-[(2,4-dichloro…

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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) 3.45 7.82 -7.32 2 5 0 67 376.243 5 ↓

Analogs

12977747
12977747
23652754
23652754

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-butanamide N-(6-amino-1-benzyl-2,4-dioxo-py…

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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) 2.11 9.88 -16.49 3 7 0 101 392.459 7 ↓

Parameters Provided:

ring.id = 120800
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 = 120800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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