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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37979549
37979549
37979550
37979550

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[[(1R)-1-(3,4-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) 2.50 6.89 -14.57 1 5 0 56 342.226 4 ↓

Analogs

37979549
37979549
37979550
37979550

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[[(1S)-1-(3,4-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) 2.50 7.32 -13.49 1 5 0 56 342.226 4 ↓

Analogs

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Popular Name: 6-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[ethyl-[(3-fluorophenyl)methy…

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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) 1.41 7.05 -10.92 0 5 0 47 305.353 5 ↓

Analogs

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Popular Name: 6-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(4-isopropylphenyl)methyl-me…

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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) 2.41 8.94 -11.19 0 5 0 47 315.417 5 ↓

Analogs

53156226
53156226

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Popular Name: 6-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(3-chlorophenyl)methyl-methy…

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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) 1.55 7.25 -12.17 0 5 0 47 307.781 4 ↓

Analogs

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Popular Name: 6-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(4-tert-butylphenyl)methyl-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) 2.60 8.49 -11.2 0 5 0 47 329.444 5 ↓

Analogs

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Popular Name: 6-[[(4-ethylphenyl)methyl-methyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(4-ethylphenyl)methyl-methyl…

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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) 1.81 7.61 -11.36 0 5 0 47 301.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2,3-dichlorophenyl)methyl-methyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(2,3-dichlorophenyl)methyl-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) 2.16 7.44 -14.05 0 5 0 47 342.226 4 ↓

Analogs

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Popular Name: 6-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[(3,4-dimethoxyphenyl)methyl-…

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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) 0.55 5.89 -16.77 0 7 0 66 333.388 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.72 7.73 -13.34 0 7 0 74 345.399 8 ↓
Lo Low (pH 4.5-6) 0.72 9.16 -69.02 1 7 1 75 346.407 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[[(1R)-2-hydroxy-1-phenyl-eth…

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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) 0.20 3.87 -61.14 3 6 1 81 290.343 5 ↓
Mid Mid (pH 6-8) 0.20 3.27 -12.79 2 6 0 76 289.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-[[[(1S)-2-hydroxy-1-phenyl-eth…

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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) 0.20 3.85 -61.12 3 6 1 81 290.343 5 ↓
Mid Mid (pH 6-8) 0.20 3.16 -12.4 2 6 0 76 289.335 5 ↓

Analogs

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Popular Name: 1,3-dimethyl-6-[[[(1R)-1-(p-tolyl)ethyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1R)-1-(p-toly…

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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) 1.66 6.51 -12.11 1 5 0 56 287.363 4 ↓
Mid Mid (pH 6-8) 1.66 7.62 -61.44 2 5 1 61 288.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1S)-1-(p-tolyl)ethyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1S)-1-(p-toly…

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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) 1.66 6.49 -10.87 1 5 0 56 287.363 4 ↓
Mid Mid (pH 6-8) 1.66 7.62 -61.52 2 5 1 61 288.371 4 ↓

Parameters Provided:

ring.id = 95196
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 = 95196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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