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

Analogs

4251813
4251813

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Popular Name: 2-[[2-[[4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carb 2-[[2-[[4-[4-(difluoromethoxy)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) 5.10 10.53 -16.84 1 7 0 90 493.557 10 ↓

Analogs

2799573
2799573

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Popular Name: 4,5-dimethyl-2-[[(2R)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]amino]thiophene- 4,5-dimethyl-2-[[(2R)-2-[[4-phen…

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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) 6.20 2.11 -11.69 1 6 0 81 509.575 9 ↓

Analogs

40171552
40171552
40171553
40171553
2799572
2799572

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Popular Name: 4,5-dimethyl-2-[[(2S)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]amino]thiophene- 4,5-dimethyl-2-[[(2S)-2-[[4-phen…

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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) 6.20 2.12 -11.89 1 6 0 81 509.575 9 ↓

Analogs

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Popular Name: 5-carbamoyl-4-methyl-2-[[(2R)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]amino]th 5-carbamoyl-4-methyl-2-[[(2R)-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) 5.40 -0.85 -14.07 3 8 0 124 552.6 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-carbamoyl-4-methyl-2-[[(2S)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]amino]th 5-carbamoyl-4-methyl-2-[[(2S)-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) 5.40 -0.84 -13.88 3 8 0 124 552.6 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-carbamoyl-3-methyl-5-[[(2R)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]amino]th 4-carbamoyl-3-methyl-5-[[(2R)-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) 5.03 8.58 -14.48 3 8 0 124 538.573 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-carbamoyl-3-methyl-5-[[(2S)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]amino]th 4-carbamoyl-3-methyl-5-[[(2S)-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) 5.03 8.58 -14.93 3 8 0 124 538.573 10 ↓

Analogs

6547956
6547956

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Popular Name: 5-[[2-[[4-(4-chlorophenyl)pyrimidin-2-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic-acid 5-[[2-[[4-(4-chlorophenyl)pyrimi…

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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) 5.39 12.33 -15.56 1 8 0 107 520.032 11 ↓

Parameters Provided:

ring.id = 237753
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 = 237753 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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