UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1317682
1317682
4086343
4086343
4086344
4086344
4086345
4086345
11691742
11691742

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Popular Name: (4R,5R,6R)-4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic- (4R,5R,6R)-4-hydroxy-6-(3-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) 2.61 -3.14 -16.02 3 8 0 116 393.343 6 ↓

Analogs

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Popular Name: (4S,5R,6S)-4-hydroxy-6-(4-methoxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxyli (4S,5R,6S)-4-hydroxy-6-(4-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) 2.74 -3.2 -10.96 3 6 0 79 378.372 6 ↓

Analogs

1317684
1317684
11691748
11691748
11691749
11691749
11691750
11691750

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Popular Name: (4R,5S,6R)-4-hydroxy-6-(4-hydroxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxyli (4R,5S,6R)-4-hydroxy-6-(4-hydrox…

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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) 2.20 -5.25 -11.41 4 6 0 90 364.345 5 ↓

Analogs

1317685
1317685
4140106
4140106
4140107
4140107
4140108
4140108
4140109
4140109

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Popular Name: (4S,5S,6R)-6-(4-dimethylaminophenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-car (4S,5S,6R)-6-(4-dimethylaminophe…

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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) 2.78 -3.27 -14.14 3 6 0 73 391.415 6 ↓

Analogs

1317681
1317681
4269892
4269892
4269895
4269895
4269896
4269896
11667636
11667636

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Popular Name: (4R,5S,6R)-4-hydroxy-6-(p-tolyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic-acid-e (4R,5S,6R)-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) 3.13 -2.89 -9.82 3 5 0 70 362.373 5 ↓

Analogs

1317687
1317687
6147984
6147984
6147987
6147987
6147991
6147991
11691756
11691756

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Popular Name: (4R,5R,6S)-6-(4-bromophenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic- (4R,5R,6S)-6-(4-bromophenyl)-4-h…

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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) 3.49 -4.03 -14.51 3 5 0 70 427.242 5 ↓

Analogs

4269859
4269859
4269860
4269860
4269861
4269861

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Popular Name: (4R,5R,6S)-4-hydroxy-6-(3-hydroxyphenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxyli (4R,5R,6S)-4-hydroxy-6-(3-hydrox…

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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) 2.18 -5.07 -16.18 4 6 0 90 364.345 5 ↓

Analogs

4140110
4140110
4140111
4140111
4140112
4140112

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Popular Name: (4S,5S,6R)-6-[4-(diethylamino)phenyl]-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-ca (4S,5S,6R)-6-[4-(diethylamino)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) 3.53 -2.76 -13.56 3 6 0 73 419.469 8 ↓

Analogs

1317693
1317693
4269851
4269851
4269852
4269852
4269853
4269853

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Popular Name: (4R,5S,6R)-6-(4-fluorophenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic (4R,5S,6R)-6-(4-fluorophenyl)-4-…

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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) 2.84 -2.42 -10.55 3 5 0 70 366.336 5 ↓

Analogs

8941487
8941487
8941492
8941492
8941497
8941497

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Popular Name: 2,2,2-trifluoro-1-[(4R,5S,6R)-4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl 2,2,2-trifluoro-1-[(4R,5S,6R)-4-…

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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) 2.54 2.87 -9.19 3 4 0 61 372.29 4 ↓

Analogs

8941487
8941487
8941492
8941492
8941497
8941497

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Popular Name: 2,2,2-trifluoro-1-[(4R,5S,6S)-4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl 2,2,2-trifluoro-1-[(4R,5S,6S)-4-…

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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) 2.54 2.92 -12.99 3 4 0 61 372.29 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.80 0.94 -12.06 4 6 0 91 350.318 4 ↓
Mid Mid (pH 6-8) 1.80 1.66 -41.95 3 6 -1 94 349.31 4 ↓

Analogs

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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) 2.41 5.09 -14.22 3 6 0 94 373.356 5 ↓
Mid Mid (pH 6-8) 2.41 5.82 -42.25 2 6 -1 97 372.348 5 ↓

Analogs

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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) 3.44 5.21 -10.49 3 5 0 71 427.242 5 ↓
Mid Mid (pH 6-8) 3.44 5.97 -42.27 2 5 -1 73 426.234 5 ↓

Parameters Provided:

ring.id = 221944
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 = 221944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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