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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S,5S,6R)-4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)hexahydropyrimidi (4S,5S,6R)-4-hydroxy-6-(4-nitrop…

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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) 2.91 2.77 -15.76 3 8 0 124 415.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S,6S)-4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)hexahydropyrimidi (4S,5S,6S)-4-hydroxy-6-(4-nitrop…

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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) 2.91 2.99 -16.01 3 8 0 124 415.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,5S,6S)-4-hydroxy-6-(4-nitrophenyl)-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)hexahydropyrimidi (4R,5S,6S)-4-hydroxy-6-(4-nitrop…

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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) 2.91 3.08 -15.69 3 8 0 124 415.349 5 ↓

Analogs

4171826
4171826
4171827
4171827
12377929
12377929
909168
909168

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Popular Name: 6-(4-fluorophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one 6-(4-fluorophenyl)-4-hydroxy-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) 3.11 -3.25 -12.8 3 5 0 78 388.342 4 ↓

Analogs

4171827
4171827
12377929
12377929
4171825
4171825

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-fluorophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one 6-(4-fluorophenyl)-4-hydroxy-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) 3.11 -3.51 -8.78 3 5 0 78 388.342 4 ↓

Analogs

12377929
12377929
4171825
4171825

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-fluorophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl)hexahydropyrimidin-2-one 6-(4-fluorophenyl)-4-hydroxy-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) 3.11 -3.19 -12.6 3 5 0 78 388.342 4 ↓

Analogs

9090734
9090734

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Popular Name: (4R,5S,6S)-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl (4R,5S,6S)-6-hydroxy-1-methyl-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) 3.38 4.02 -17.55 2 8 0 97 474.457 7 ↓

Parameters Provided:

ring.id = 147353
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 = 147353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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