UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7149299
7149299

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N,N-dimethyl-propanamide 2-[4-benzylidene-1-(4-fluorophen…

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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 12.11 -13.27 0 5 0 55 397.475 5 ↓

Analogs

7149295
7149295

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N,N-dimethyl-propanamide 2-[4-benzylidene-1-(4-fluorophen…

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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 12.13 -13.33 0 5 0 55 397.475 5 ↓

Analogs

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Popular Name: 2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-prop-2-y 2-[(4Z)-4-[(4-chlorophenyl)methy…

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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) 4.77 12.62 -14.39 1 5 0 64 478.788 6 ↓

Analogs

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Popular Name: 2-[(4Z)-4-[(4-isopropylphenyl)methylene]-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-prop-2-ynyl-aceta 2-[(4Z)-4-[(4-isopropylphenyl)me…

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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) 4.58 13.41 -13.54 1 5 0 64 431.561 7 ↓

Analogs

9501520
9501520

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Popular Name: (5Z)-2-butylsulfanyl-3-[4-(difluoromethoxy)phenyl]-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5Z)-2-butylsulfanyl-3-[4-(diflu…

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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) 5.46 12.32 -12.4 0 5 0 53 432.492 9 ↓

Analogs

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Popular Name: 2-[(4Z)-1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanyl-N- 2-[(4Z)-1-[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) 3.29 9.7 -16.4 1 7 0 82 471.485 9 ↓

Analogs

20891672
20891672

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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) 4.88 13.26 -12.93 0 6 0 70 424.522 7 ↓

Analogs

20891668
20891668

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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) 4.88 13.52 -12.62 0 6 0 70 424.522 7 ↓

Analogs

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Popular Name: (E)-3-amino-2-[2-[(4Z)-4-[(4-isopropylphenyl)methylene]-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylacety (E)-3-amino-2-[2-[(4Z)-4-[(4-iso…

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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) 4.62 14.02 -15.69 2 6 0 102 458.587 7 ↓

Analogs

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Popular Name: (5Z)-2-(3-hydroxypropylsulfanyl)-3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5Z)-2-(3-hydroxypropylsulfanyl)…

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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) 3.29 7.94 -14.77 1 6 0 74 398.484 8 ↓

Analogs

3492193
3492193

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Popular Name: 2-[(4Z)-4-[(3,4-dichlorophenyl)methylene]-1-(2-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(2-metho 2-[(4Z)-4-[(3,4-dichlorophenyl)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) 4.06 10.56 -15.98 1 6 0 73 482.364 8 ↓

Analogs

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Popular Name: (5Z)-5-[4-(difluoromethoxy)-3-ethoxy-benzylidene]-2-mercapto-3-(2-methoxyphenyl)-2-imidazolin-4-one (5Z)-5-[4-(difluoromethoxy)-3-et…

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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) 3.95 9.8 -15.23 0 6 0 63 420.437 7 ↓

Analogs

2786531
2786531

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Popular Name: 5-[(2,6-dichlorophenyl)methylene]-3-phenyl-2-thioxo-imidazolidin-4-one 5-[(2,6-dichlorophenyl)methylene…

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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) 4.41 11.2 -44.48 0 3 -1 35 348.234 2 ↓
Mid Mid (pH 6-8) 4.41 11.5 -12.34 1 3 0 36 349.242 2 ↓

Analogs

9501520
9501520

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Popular Name: (5E)-2-butylsulfanyl-3-[4-(difluoromethoxy)phenyl]-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5E)-2-butylsulfanyl-3-[4-(diflu…

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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) 5.46 11.63 -12.24 0 5 0 53 432.492 9 ↓

Analogs

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Popular Name: N-[3-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanylpropyl]acetamide N-[3-[(4E)-4-benzylidene-1-(4-fl…

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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) 2.94 10.39 -15.63 1 5 0 64 397.475 7 ↓

Parameters Provided:

ring.id = 4903
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 = 4903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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