UCSF
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Analogs

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Popular Name: 3,6-dimethyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-oxo-furo[5,4-d]pyrimidine-5-carboxamide 3,6-dimethyl-N-[(1R)-2-methyl-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) 2.12 6.34 -19.81 1 6 0 77 345.424 4 ↓

Analogs

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Popular Name: 3,6-dimethyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-4-oxo-furo[5,4-d]pyrimidine-5-carboxamide 3,6-dimethyl-N-[(1S)-2-methyl-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) 2.12 6.17 -19.63 1 6 0 77 345.424 4 ↓

Analogs

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Popular Name: 3,6-dimethyl-4-oxo-N-[(1S)-1-(2-thienyl)butyl]furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-4-oxo-N-[(1S)-1-(2-…

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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) 2.43 6.58 -20.35 1 6 0 77 345.424 5 ↓

Analogs

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Popular Name: 3,6-dimethyl-4-oxo-N-[(1R)-1-(2-thienyl)butyl]furo[2,3-d]pyrimidine-5-carboxamide 3,6-dimethyl-4-oxo-N-[(1R)-1-(2-…

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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) 2.43 6.58 -20.1 1 6 0 77 345.424 5 ↓

Analogs

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Popular Name: 3-isobutyl-6-methyl-4-oxo-N-(2-thienylmethyl)furo[2,3-d]pyrimidine-5-carboxamide 3-isobutyl-6-methyl-4-oxo-N-(2-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) 1.93 6.29 -19.85 1 6 0 77 345.424 5 ↓

Analogs

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Popular Name: 3-isobutyl-6-methyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide 3-isobutyl-6-methyl-N-[(1R)-2-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) 3.24 8.21 -18.76 1 6 0 77 387.505 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-6-methyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-4-oxo-furo[2,3-d]pyrimidine-5-carboxamide 3-isobutyl-6-methyl-N-[(1S)-2-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) 3.24 8.2 -17.17 1 6 0 77 387.505 6 ↓

Analogs

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Popular Name: 3-isobutyl-N-(3-methoxypropyl)-6-methyl-4-oxo-N-[(1S)-1-(2-thienyl)ethyl]furo[2,3-d]pyrimidine-5-car 3-isobutyl-N-(3-methoxypropyl)-6…

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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) 2.52 9 -18.15 0 7 0 78 431.558 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-N-(3-methoxypropyl)-6-methyl-4-oxo-N-[(1R)-1-(2-thienyl)ethyl]furo[2,3-d]pyrimidine-5-car 3-isobutyl-N-(3-methoxypropyl)-6…

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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) 2.52 9.3 -18.35 0 7 0 78 431.558 9 ↓

Parameters Provided:

ring.id = 11782
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 = 11782 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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