UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6148050
6148050
6148053
6148053
6148056
6148056

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Popular Name: [(4R,5S,6R)-4-hydroxy-6-(4-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-phenyl- [(4R,5S,6R)-4-hydroxy-6-(4-nitro…

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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) 3.55 -2.71 -14.7 3 7 0 107 425.388 5 ↓

Analogs

4338041
4338041
4338046
4338046
4338052
4338052

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Popular Name: [(4R,5S,6R)-4-hydroxy-6-(3-hydroxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-pheny [(4R,5S,6R)-4-hydroxy-6-(3-hydro…

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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) 3.08 -5.18 -13.07 4 5 0 81 396.39 4 ↓

Analogs

1317697
1317697
4338058
4338058
4338073
4338073
13115511
13115511
13115514
13115514

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Popular Name: [(4S,5R,6S)-4-hydroxy-6-(p-tolyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-phenyl-methan [(4S,5R,6S)-4-hydroxy-6-(p-tolyl…

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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) 4.04 -3.44 -10.47 3 4 0 61 394.418 4 ↓

Analogs

1317699
1317699
6148081
6148081
6148084
6148084

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Popular Name: [(4S,5R,6S)-6-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5 [(4S,5R,6S)-6-(4-ethoxy-3-methox…

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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) 3.61 -3.81 -13.47 3 6 0 79 454.47 7 ↓

Analogs

1317700
1317700
6148090
6148090
6148094
6148094

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Popular Name: [(4S,5S,6R)-6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropy [(4S,5S,6R)-6-(3-bromo-4-hydroxy…

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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) 3.89 -5.8 -20.22 4 6 0 90 505.312 5 ↓

Analogs

12893019
12893019
12893026
12893026
12893034
12893034
12893045
12893045

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Popular Name: ethyl ethyl

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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) 3.20 8.69 -15.81 2 7 0 88 428.51 7 ↓

Analogs

12893019
12893019
12893026
12893026
12893034
12893034
12893045
12893045

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Popular Name: ethyl ethyl

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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) 3.20 8.65 -18.24 2 7 0 88 428.51 7 ↓

Analogs

12893019
12893019
12893026
12893026
12893034
12893034
12893045
12893045

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Popular Name: ethyl ethyl

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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) 3.20 7.81 -21.49 2 7 0 88 428.51 7 ↓

Analogs

12893019
12893019
12893026
12893026
12893034
12893034
12893045
12893045

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Popular Name: ethyl ethyl

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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) 3.20 9.14 -17.2 2 7 0 88 428.51 7 ↓

Analogs

12893066
12893066
12893073
12893073
12893080
12893080
12893087
12893087

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Popular Name: ethyl ethyl

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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) 3.82 9.91 -14.54 2 6 0 79 432.929 6 ↓

Analogs

12893066
12893066
12893073
12893073
12893080
12893080
12893087
12893087

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Popular Name: ethyl ethyl

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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) 3.82 9.87 -16.88 2 6 0 79 432.929 6 ↓

Analogs

12893066
12893066
12893073
12893073
12893080
12893080
12893087
12893087

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Popular Name: ethyl ethyl

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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) 3.82 9.01 -21.8 2 6 0 79 432.929 6 ↓

Analogs

12893066
12893066
12893073
12893073
12893080
12893080
12893087
12893087

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Popular Name: ethyl ethyl

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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) 3.82 10.36 -17.01 2 6 0 79 432.929 6 ↓

Parameters Provided:

ring.id = 221951
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 = 221951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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