UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-tert-butyl-5-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-1,3-dimethyl-pyrimido[5,6-e]pyrimidine-2,4-dio 7-tert-butyl-5-[(1R)-1-(4-fluoro…

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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) 3.81 11.85 -7.28 0 6 0 70 402.495 4 ↓

Analogs

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Popular Name: 7-tert-butyl-5-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-1,3-dimethyl-pyrimido[5,6-e]pyrimidine-2,4-dio 7-tert-butyl-5-[(1S)-1-(4-fluoro…

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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) 3.81 11.85 -7.27 0 6 0 70 402.495 4 ↓

Analogs

7346970
7346970
7347002
7347002

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Popular Name: 7-tert-butyl-1,3-dimethyl-5-(p-tolylmethylsulfanyl)pyrimido[5,6-e]pyrimidine-2,4-dione 7-tert-butyl-1,3-dimethyl-5-(p-t…

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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) 3.73 11.64 -7.17 0 6 0 70 384.505 4 ↓

Analogs

7346972
7346972

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Popular Name: 7-tert-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[5,4-e]pyrimidine-2,4-dione 7-tert-butyl-5-[(3-fluorophenyl)…

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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) 3.42 11.04 -7.87 0 6 0 70 388.468 4 ↓

Analogs

4139031
4139031

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Popular Name: 7-tert-butyl-5-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[5,4-e]pyrimidine-2,4-dione 7-tert-butyl-5-[(2-fluorophenyl)…

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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) 3.40 11 -8.54 0 6 0 70 388.468 4 ↓

Analogs

7346970
7346970
7347002
7347002

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Popular Name: 5-benzylsulfanyl-7-tert-butyl-1,3-dimethyl-pyrimido[5,4-e]pyrimidine-2,4-dione 5-benzylsulfanyl-7-tert-butyl-1,…

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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) 3.28 10.97 -7.12 0 6 0 70 370.478 4 ↓

Analogs

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Popular Name: 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-isobutyl-3,7-dimethyl-pyrimido[5,4-e]pyrimidine-2,4- 5-[[2-(difluoromethoxy)phenyl]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) 3.25 10.91 -10.83 0 7 0 79 436.484 7 ↓

Analogs

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Popular Name: 7-tert-butyl-5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1,3-dimethyl-pyrimido[5,4-e]pyrimidine-2, 7-tert-butyl-5-[[2-(difluorometh…

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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) 3.85 10.58 -10.09 0 7 0 79 436.484 6 ↓

Analogs

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Popular Name: 7-isopropyl-3-methyl-5-[(2-nitrophenyl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione 7-isopropyl-3-methyl-5-[(2-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) 3.41 12.45 -12.74 0 9 0 116 429.502 7 ↓

Parameters Provided:

ring.id = 107937
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 = 107937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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