UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,3-dimethyl-5-[[[(1R)-1-(o-tolyl)ethyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[[[(1R)-1-(o-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) 1.30 7.8 -51.41 2 5 1 61 288.371 4 ↓
Hi High (pH 8-9.5) 1.30 6.63 -11.16 1 5 0 56 287.363 4 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-[[[(1S)-1-(o-tolyl)ethyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[[[(1S)-1-(o-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) 1.30 7.77 -53.65 2 5 1 61 288.371 4 ↓
Hi High (pH 8-9.5) 1.30 6.5 -12.01 1 5 0 56 287.363 4 ↓

Analogs

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Popular Name: 5-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(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) -0.11 4.01 -50.13 3 6 1 81 290.343 5 ↓
Mid Mid (pH 6-8) -0.11 2.89 -16.51 2 6 0 76 289.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(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) -0.11 3.99 -52.17 3 6 1 81 290.343 5 ↓
Mid Mid (pH 6-8) -0.11 2.78 -15.58 2 6 0 76 289.335 5 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-[(o-tolylmethylamino)methyl]pyrimidine-2,4-dione 1,3-dimethyl-5-[(o-tolylmethylam…

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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) 0.74 7.05 -53.61 2 5 1 61 274.344 4 ↓
Hi High (pH 8-9.5) 0.74 5.69 -12.45 1 5 0 56 273.336 4 ↓

Analogs

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Popular Name: 5-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(1S)-1-(4-bromophenyl)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) 1.71 7.7 -56.53 2 5 1 61 353.24 4 ↓
Mid Mid (pH 6-8) 1.71 6.56 -12.54 1 5 0 56 352.232 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[[(1R)-1-(4-bromophenyl)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) 1.71 7.68 -56.11 2 5 1 61 353.24 4 ↓
Mid Mid (pH 6-8) 1.71 6.58 -12.08 1 5 0 56 352.232 4 ↓

Analogs

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Popular Name: 5-[[(3,4-difluorophenyl)methylamino]methyl]-1,3-dimethyl-pyrimidine-2,4-dione 5-[[(3,4-difluorophenyl)methylam…

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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) 0.60 6.58 -66.24 2 5 1 61 296.297 4 ↓
Hi High (pH 8-9.5) 0.60 5.22 -19.11 1 5 0 56 295.289 4 ↓

Parameters Provided:

ring.id = 24621
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 = 24621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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