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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(3,5-diiodo-4-methoxy-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(3,5-diiodo-4-methoxy-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) 2.51 -0.08 -7.47 0 6 0 70 526.068 2 ↓

Analogs

2773006
2773006
1202736
1202736

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Popular Name: 5-(3-iodo-4,5-dimethoxybenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(3-iodo-4,5-dimethoxybenzylide…

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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) 1.28 0.98 -9.97 0 7 0 79 430.198 3 ↓

Analogs

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Popular Name: 5-[(3-methoxy-4-methylsulfanyl-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(3-methoxy-4-methylsulfanyl-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) 0.85 6.1 -9.61 0 6 0 70 320.37 3 ↓

Analogs

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Popular Name: 5-(4-hexoxy-3-methoxy-benzylidene)barbituric-acid 5-(4-hexoxy-3-methoxy-benzyliden…

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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 -1.8 -10.35 2 7 0 101 346.383 8 ↓

Analogs

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Popular Name: 5-(4-propoxybenzylidene)barbituric-acid 5-(4-propoxybenzylidene)barbitur…

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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) 1.23 -2.5 -8.25 2 6 0 92 274.276 4 ↓

Analogs

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Popular Name: (5E)-5-[(2,4-diethoxyphenyl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione (5E)-5-[(2,4-diethoxyphenyl)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) 1.15 4.14 -7.93 1 7 0 90 318.329 5 ↓

Analogs

4551407
4551407

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Popular Name: 5-(4-(2-bromoethoxy)-3-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 5-(4-(2-bromoethoxy)-3-methoxybe…

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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) 0.68 -3.17 -11.71 2 7 0 101 369.171 5 ↓

Analogs

4550965
4550965

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Popular Name: 5-(4-(2-bromoethoxy)-3-ethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 5-(4-(2-bromoethoxy)-3-ethoxyben…

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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) 1.05 -3.16 -11.63 2 7 0 101 383.198 6 ↓

Analogs

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Popular Name: 2-[3-[(1-methyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetic 2-[3-[(1-methyl-2,4,6-trioxo-hex…

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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) -0.36 -1.02 -49.66 1 8 -1 121 303.25 4 ↓

Analogs

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Popular Name: 5-(2-(2-bromoethoxy)benzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione 5-(2-(2-bromoethoxy)benzylidene)…

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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) 1.17 0.41 -9.02 0 6 0 70 367.199 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.32 -2.15 -13.17 2 8 0 118 397.181 6 ↓

Analogs

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Popular Name: 5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(2-hydroxy-3-methoxy-5-nitro-…

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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) -0.12 3.69 -12.36 1 10 0 136 335.272 3 ↓

Analogs

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Popular Name: 5-[[3-chloro-4-(difluoromethoxy)phenyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[[3-chloro-4-(difluoromethoxy)…

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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) 1.65 5.91 -9.74 0 6 0 70 344.701 3 ↓

Analogs

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Popular Name: 5-[(4-chloro-3-fluoro-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(4-chloro-3-fluoro-phenyl)met…

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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) 1.20 6.32 -7.65 0 5 0 61 296.685 1 ↓

Analogs

3543660
3543660
3543663
3543663

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Popular Name: 5-[(3,5-dimethylphenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione 5-[(3,5-dimethylphenyl)methylene…

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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) 1.25 7.08 -6.9 0 5 0 61 272.304 1 ↓

Parameters Provided:

ring.id = 4745
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 = 4745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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