UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-5-[(3-imidazol-1-ylpropylam…

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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 9.3 -20.57 2 7 0 85 355.423 6 ↓
Mid Mid (pH 6-8) 0.11 9.81 -49.15 3 7 1 86 356.431 6 ↓

Analogs

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Popular Name: (5E)-1-(4-fluorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-d (5E)-1-(4-fluorophenyl)-5-[(3-im…

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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) 0.27 9.36 -19.55 2 7 0 85 373.413 6 ↓
Mid Mid (pH 6-8) 0.27 9.88 -48.72 3 7 1 86 374.421 6 ↓

Analogs

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Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-1-(3,4,5-trimethoxyphenyl)hexahydropyrimidin (5E)-5-[(3-imidazol-1-ylpropylam…

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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) 0.16 8.43 -23.38 2 10 0 112 445.501 9 ↓
Mid Mid (pH 6-8) 0.16 8.94 -52.42 3 10 1 114 446.509 9 ↓

Analogs

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Popular Name: (5E)-1-(4-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-d (5E)-1-(4-chlorophenyl)-5-[(3-im…

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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) 0.79 9.82 -19.26 2 7 0 85 389.868 6 ↓
Mid Mid (pH 6-8) 0.79 10.34 -48.33 3 7 1 86 390.876 6 ↓

Analogs

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Popular Name: (5E)-1-(4-ethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-d (5E)-1-(4-ethoxyphenyl)-5-[(3-im…

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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) 0.54 9.52 -20.72 2 8 0 94 399.476 8 ↓
Mid Mid (pH 6-8) 0.54 10.04 -49.66 3 8 1 95 400.484 8 ↓

Analogs

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Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimi (5E)-5-[(3-imidazol-1-ylpropylam…

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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) 1.19 10.32 -20.56 2 7 0 85 423.42 7 ↓
Mid Mid (pH 6-8) 1.19 10.83 -49.15 3 7 1 86 424.428 7 ↓

Analogs

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Popular Name: (5E)-1-(3-chlorophenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-d (5E)-1-(3-chlorophenyl)-5-[(3-im…

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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) 0.97 9.81 -20.23 2 7 0 85 389.868 6 ↓
Mid Mid (pH 6-8) 0.97 10.32 -49.23 3 7 1 86 390.876 6 ↓

Analogs

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Popular Name: (5E)-1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine- (5E)-1-(2,5-dimethoxyphenyl)-5-[…

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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) 0.57 8.02 -24.08 2 9 0 103 415.475 8 ↓
Mid Mid (pH 6-8) 0.57 8.53 -52.05 3 9 1 104 416.483 8 ↓

Parameters Provided:

ring.id = 56476
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 = 56476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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