UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S)-3-benzamido-N-(4-methoxyphenyl)-6-oxo-1-phenyl-2-thioxo-hexahydropyrimidine-4-carboxamide (4S)-3-benzamido-N-(4-methoxyphe…

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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) 3.11 10.72 -37.13 2 8 0 91 474.542 6 ↓

Analogs

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Popular Name: (4R)-3-benzamido-N-(4-methoxyphenyl)-6-oxo-1-phenyl-2-thioxo-hexahydropyrimidine-4-carboxamide (4R)-3-benzamido-N-(4-methoxyphe…

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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) 3.11 11.19 -22.87 2 8 0 91 474.542 6 ↓

Analogs

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Popular Name: (4S)-3-benzamido-N-(4-isopropylphenyl)-6-oxo-1-phenyl-2-thioxo-hexahydropyrimidine-4-carboxamide (4S)-3-benzamido-N-(4-isopropylp…

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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) 4.57 13.34 -36.2 2 7 0 82 486.597 6 ↓

Analogs

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Popular Name: (4R)-3-benzamido-N-(4-isopropylphenyl)-6-oxo-1-phenyl-2-thioxo-hexahydropyrimidine-4-carboxamide (4R)-3-benzamido-N-(4-isopropylp…

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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) 4.57 13.84 -21.13 2 7 0 82 486.597 6 ↓

Analogs

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Popular Name: (4S)-3-benzamido-1-(4-methoxyphenyl)-N-(m-tolyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxamide (4S)-3-benzamido-1-(4-methoxyphe…

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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) 3.53 11.39 -36.85 2 8 0 91 488.569 6 ↓

Analogs

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Popular Name: (4R)-3-benzamido-1-(4-methoxyphenyl)-N-(m-tolyl)-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxamide (4R)-3-benzamido-1-(4-methoxyphe…

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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) 3.53 11.89 -21.85 2 8 0 91 488.569 6 ↓

Analogs

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Popular Name: (4S)-3-benzamido-N-(3-methoxyphenyl)-6-oxo-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4-carboxamide (4S)-3-benzamido-N-(3-methoxyphe…

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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) 3.53 11.47 -40.79 2 8 0 91 488.569 6 ↓

Analogs

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Popular Name: (4R)-3-benzamido-N-(3-methoxyphenyl)-6-oxo-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4-carboxamide (4R)-3-benzamido-N-(3-methoxyphe…

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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) 3.53 11.83 -22.19 2 8 0 91 488.569 6 ↓

Analogs

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Popular Name: (5S,6R)-5-[(1R,9aS)-6-chloro-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-6-hydroxy-1,3-dimethyl- (5S,6R)-5-[(1R,9aS)-6-chloro-2,3…

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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) 2.13 5.04 -10.81 3 6 0 72 378.885 1 ↓
Lo Low (pH 4.5-6) 2.13 6.23 -44.71 4 6 1 76 379.893 1 ↓

Analogs

39159860
39159860
39159861
39159861
39159862
39159862
39159863
39159863

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Popular Name: (5R)-3-allyl-5-[(S)-[(5S,6R)-1-allyl-6-hydroxy-4-oxo-2-thioxo-hexahydropyrimidin-5-yl]-(4-pyridyl)me (5R)-3-allyl-5-[(S)-[(5S,6R)-1-a…

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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) 0.25 3.81 -29.05 3 9 -1 126 458.545 7 ↓
Mid Mid (pH 6-8) 0.25 4.26 -32.58 4 9 0 128 459.553 7 ↓

Analogs

36602816
36602816
36602817
36602817

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Popular Name: (5R)-6-hydroxy-5-[(R)-[(5S,6S)-6-hydroxy-1-methyl-4-oxo-2-thioxo-hexahydropyrimidin-5-yl]-[4-methoxy (5R)-6-hydroxy-5-[(R)-[(5S,6S)-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) 0.44 4.64 -53.09 4 10 0 127 519.649 6 ↓

Analogs

36602816
36602816
36602817
36602817

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Popular Name: (5R)-6-hydroxy-5-[(R)-[(5R,6R)-6-hydroxy-1-methyl-4-oxo-2-thioxo-hexahydropyrimidin-5-yl]-[4-methoxy (5R)-6-hydroxy-5-[(R)-[(5R,6R)-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) 0.44 4.89 -38.37 4 10 0 127 519.649 6 ↓

Analogs

36602816
36602816
36602817
36602817

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-6-hydroxy-5-[(R)-[(5R,6S)-6-hydroxy-1-methyl-4-oxo-2-thioxo-hexahydropyrimidin-5-yl]-[4-methoxy (5R)-6-hydroxy-5-[(R)-[(5R,6S)-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) 0.44 5.74 -39.02 4 10 0 127 519.649 6 ↓

Parameters Provided:

ring.id = 112506
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 = 112506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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