UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-2-thioxo-1H-imidazole-4-carboxamide 3-(4-fluorophenyl)-N-(4-methylsu…

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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) 2.98 -0.83 -14.97 2 4 0 50 359.451 4 ↓

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(4-methylsulfanylphenyl)-3-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) 2.82 -1.57 -15.91 2 4 0 50 341.461 4 ↓

Analogs

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Popular Name: N-[4-(methylcarbamoyl)phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[4-(methylcarbamoyl)phenyl]-3-…

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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) 1.58 7.29 -24.03 3 6 0 79 352.419 4 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-(3-iodo-4-methyl-phenyl)-2-thioxo-1H-imidazole-4-carboxamide 3-(4-fluorophenyl)-N-(3-iodo-4-m…

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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) 4.01 10.88 -16 2 4 0 50 453.28 3 ↓

Analogs

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Popular Name: N-(3-iodo-4-methyl-phenyl)-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(3-iodo-4-methyl-phenyl)-3-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) 3.84 10.81 -16.88 2 4 0 50 435.29 3 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-N-methyl-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(3-isopropylphenyl)-N-methyl-3…

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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) 4.12 12.04 -17.09 1 4 0 41 351.475 4 ↓

Analogs

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Popular Name: N-[4-(isopropylcarbamoyl)-3-methyl-phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[4-(isopropylcarbamoyl)-3-meth…

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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) 2.63 9.65 -30.24 3 6 0 79 394.5 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-N-methyl-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(4-fluorophenyl)-N-methyl-3-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) 2.79 10.23 -18.16 1 4 0 41 327.384 3 ↓

Analogs

55641430
55641430

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Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[4-[(1S)-1-methylpropoxy]pheny…

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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) 3.68 10.71 -23.44 2 5 0 59 367.474 6 ↓

Analogs

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Popular Name: N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[2-fluoro-5-(trifluoromethyl)p…

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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) 3.37 10.13 -22.22 2 4 0 50 381.354 4 ↓

Analogs

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Popular Name: N-[4-[methoxy(methyl)carbamoyl]phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[4-[methoxy(methyl)carbamoyl]p…

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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) 1.78 9.17 -29.53 2 7 0 79 382.445 5 ↓

Analogs

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Popular Name: N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[4-fluoro-3-(trifluoromethyl)p…

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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) 3.37 10.05 -24.02 2 4 0 50 381.354 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) 3.35 11.83 -26.88 2 6 0 76 393.468 7 ↓

Parameters Provided:

ring.id = 85333
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 = 85333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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