UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidin (5Z)-5-[[1-(4-bromo-3-methyl-phe…

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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) 2.39 8.81 -8.34 1 6 0 77 416.275 2 ↓

Analogs

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Popular Name: (5Z)-5-[[1-(4-allyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidine-2,4,6 (5Z)-5-[[1-(4-allyloxyphenyl)-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) 1.69 8.5 -9.58 1 7 0 86 379.416 5 ↓

Analogs

1175127
1175127

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Popular Name: (5Z)-5-[[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidine-2,4, (5Z)-5-[[1-(4-isopropylphenyl)-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) 2.50 9.49 -8.43 1 6 0 77 365.433 3 ↓

Analogs

1176493
1176493

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Popular Name: (5Z)-5-[[1-(2-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidine-2,4,6-tr (5Z)-5-[[1-(2-ethylphenyl)-2,5-d…

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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) 2.07 8.95 -8.53 1 6 0 77 351.406 3 ↓

Analogs

1178806
1178806

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Popular Name: (5Z)-5-[[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidin (5Z)-5-[[1-(4-bromo-2-fluoro-phe…

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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) 2.10 8.45 -8.8 1 6 0 77 420.238 2 ↓

Analogs

1175994
1175994

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Popular Name: (5Z)-5-[[1-(3-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-hexahydropyrimidi (5Z)-5-[[1-(3-chloro-2-methyl-ph…

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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) 2.23 8.98 -8.27 1 6 0 77 371.824 2 ↓

Analogs

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Popular Name: (5E)-5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-barbituric-acid (5E)-5-[[1-(4-bromo-3-methyl-phe…

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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) 2.39 0.24 -8.41 1 6 0 76 416.275 2 ↓

Parameters Provided:

ring.id = 230137
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 = 230137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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